Geometry & MOs

Info

ID:	16539
PubChem CID:	472319
Reduced:	SN3O8C28H37 (1)
Stoich.:	AB3C8D28E37 (1)
Weight, g/mol:	575.230136
ΔH_f, kcal/mol:	-322.66
Dipole, Da:	6.46
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-hydroxy-1-phenylbutan-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(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O

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(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):