Geometry & MOs

Info

ID:

16254

PubChem CID:

462797

Reduced:

N3O3C22H26 (2)

Stoich.:

A3B3C22D26 (2)

Weight, g/mol:

760.394833

ΔHf, kcal/mol:

-190.46

Dipole, Da:

2.13

IP(EA), eV:

 -8.88(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-N-[(2S,3R,4R)-3-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC2C(CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)CCC5=NC6=CC=CC=C6N5

DOS

IR

Vibrations