Geometry & MOs

Info

ID:

109753

PubChem CID:

50296233

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

631.256147

ΔHf, kcal/mol:

-146.34

Dipole, Da:

9.04

IP(EA), eV:

 -8.57(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations