Geometry & MOs

Info

ID:

114364

PubChem CID:

50480451

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-179.56

Dipole, Da:

9.45

IP(EA), eV:

 -8.71(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations