Geometry & MOs

Info

ID:

97532

PubChem CID:

50032376

Reduced:

F4O4N5C31H31 (1)

Stoich.:

A4B4C5D31E31 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-296.37

Dipole, Da:

4.26

IP(EA), eV:

 -9.04(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)NCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations