Geometry & MOs

Info

ID:

113925

PubChem CID:

50464766

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-221.17

Dipole, Da:

12.26

IP(EA), eV:

 -8.74(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations