Geometry & MOs

Info

ID:

113786

PubChem CID:

50458395

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-232.13

Dipole, Da:

7.32

IP(EA), eV:

 -8.74(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)C)NC(=O)C(C)C

DOS

IR

Vibrations