Geometry & MOs

Info

ID:

16250

PubChem CID:

462793

Reduced:

N6O6C43H50 (1)

Stoich.:

A6B6C43D50 (1)

Weight, g/mol:

746.379183

ΔHf, kcal/mol:

-198.04

Dipole, Da:

5.27

IP(EA), eV:

 -9.15(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R,4R)-4-[[4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methylamino]-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)CNC(=O)CCC5=NC6=CC=CC=C6N5)O

DOS

IR

Vibrations