Geometry & MOs

Info

ID:

100922

PubChem CID:

50064174

Reduced:

ClF2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-225.15

Dipole, Da:

12.14

IP(EA), eV:

 -8.95(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations