Geometry & MOs

Info

ID:

114370

PubChem CID:

50480611

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-237.06

Dipole, Da:

8.27

IP(EA), eV:

 -8.71(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]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(=C3C)C(=O)N4CCCCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations