Geometry & MOs

Info

ID:

114567

PubChem CID:

50488595

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-323.09

Dipole, Da:

5.39

IP(EA), eV:

 -8.95(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations