Geometry & MOs

Info

ID:

101469

PubChem CID:

50064738

Reduced:

ClF2O5N6C40H45 (1)

Stoich.:

AB2C5D6E40F45 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-275.07

Dipole, Da:

15.85

IP(EA), eV:

 -8.98(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propylcarbamoyl)phenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=C(C=C6)F)F)C)Cl

DOS

IR

Vibrations