Geometry & MOs

Info

ID:

97016

PubChem CID:

50026841

Reduced:

F4O4N5H29C30 (1)

Stoich.:

A4B4C5D29E30 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-293.57

Dipole, Da:

10.77

IP(EA), eV:

 -8.95(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-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=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations