Geometry & MOs

Info

ID:

113023

PubChem CID:

50429379

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-196.62

Dipole, Da:

9.27

IP(EA), eV:

 -8.93(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N)C)C

DOS

IR

Vibrations