Geometry & MOs

Info

ID:

117637

PubChem CID:

50609162

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

768.283839

ΔHf, kcal/mol:

-187.8

Dipole, Da:

11.3

IP(EA), eV:

 -8.53(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-fluorobenzoyl)amino]-3-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6CCCCC6

DOS

IR

Vibrations