Geometry & MOs

Info

ID:

179714

PubChem CID:

76520606

Reduced:

SN4O8C32H41 (1)

Stoich.:

AB4C8D32E41 (1)

Weight, g/mol:

577.30261

ΔHf, kcal/mol:

-253.2

Dipole, Da:

12.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767938

Charge, e:

 -1

Chem-info

IUPAC name:

N-[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]-N-(pyridin-3-ylmethyl)carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(C(CC2=CC=CC=C2)N(C3COC4C3CCO4)C(=O)[O-])O)CC(C)(C)CCC#N

DOS

IR

Vibrations