Geometry & MOs

Info

ID:

298861

PubChem CID:

117661902

Reduced:

O5N7H41C43 (1)

Stoich.:

A5B7C41D43 (1)

Weight, g/mol:

636.306018

ΔHf, kcal/mol:

-85.57

Dipole, Da:

7.15

IP(EA), eV:

 -8.45(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[[2-[4-[(1-propan-2-ylpyrrolidine-2-carbonyl)amino]phenyl]-1H-indol-5-yl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC6=C(N5)C=CC(=C6)NC(=O)[C@@H]7CCCN7C(=O)[C@@H](C8=CC=CC=C8)NC(=O)O

DOS

IR

Vibrations