Geometry & MOs

Info

ID:

114360

PubChem CID:

50480376

Reduced:

O3N4F5H25C28 (1)

Stoich.:

A3B4C5D25E28 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-292.2

Dipole, Da:

4.28

IP(EA), eV:

 -9.2(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations