Geometry & MOs

Info

ID:

185323

PubChem CID:

77285564

Reduced:

O6N7C47H61 (1)

Stoich.:

A6B7C47D61 (1)

Weight, g/mol:

804.457434

ΔHf, kcal/mol:

-232.47

Dipole, Da:

8.13

IP(EA), eV:

 -8.61(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[5-[[2-(3-benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CC(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)N(C)C(=O)O)O)N4CCN(C4=O)CC5=CC(=CC=C5)N

DOS

IR

Vibrations