Geometry & MOs

Info

ID:

111541

PubChem CID:

50371643

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

754.385412

ΔHf, kcal/mol:

-202.92

Dipole, Da:

4.71

IP(EA), eV:

 -8.91(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(3-fluorobenzoyl)amino]-3-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations