Geometry & MOs

Info

ID:

110772

PubChem CID:

50339408

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

770.279503

ΔHf, kcal/mol:

-227.8

Dipole, Da:

8.78

IP(EA), eV:

 -8.72(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations