Geometry & MOs

Info

ID:

114016

PubChem CID:

50467943

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-183.44

Dipole, Da:

4.48

IP(EA), eV:

 -9.07(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations