Geometry & MOs

Info

ID:

97419

PubChem CID:

50031497

Reduced:

F4O4N5H35C37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-270.62

Dipole, Da:

7.9

IP(EA), eV:

 -9.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations