Geometry & MOs

Info

ID:	443574
PubChem CID:	135259386
Reduced:	ISO3N4C24H31 (1)
Stoich.:	ABC3D4E24F31 (1)
Weight, g/mol:	597.1945
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	7.74
IP(EA), eV:	-8.94(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-(2-fluorophenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

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

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NC2=CC=C(C=C2)CCC(=O)I)NS

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

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NC2=CC=C(C=C2)CCC(=O)I)NS

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):