Geometry & MOs

Info

ID:

120108

PubChem CID:

50714287

Reduced:

ClFN6O6C38H46 (1)

Stoich.:

ABC6D6E38F46 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-268.17

Dipole, Da:

13.4

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations