Geometry & MOs

Info

ID:	232008
PubChem CID:	87575115
Reduced:	OPSH18C20 (2)
Stoich.:	ABCD18E20 (2)
Weight, g/mol:	1239.415526
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	3.35
IP(EA), eV:	-8.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N,N-bis[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[dideuterio-(5-deuterio-2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-3-hydroxybutan-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(P(=S)(C1=CC=CC=C1)C2=CC=CC=C2OCC3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5OCC6=CC=CC=C6

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(P(=S)(C1=CC=CC=C1)C2=CC=CC=C2OCC3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5OCC6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):