Geometry & MOs

Info

ID:

100115

PubChem CID:

50058425

Reduced:

FO4N5H34C35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

625.250061

ΔHf, kcal/mol:

-129.9

Dipole, Da:

10.89

IP(EA), eV:

 -8.58(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations