Geometry & MOs

Info

ID:

114384

PubChem CID:

50481296

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-214.18

Dipole, Da:

8.85

IP(EA), eV:

 -8.92(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations