Geometry & MOs

Info

ID:

113654

PubChem CID:

50453988

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-164.45

Dipole, Da:

7.43

IP(EA), eV:

 -8.89(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations