Geometry & MOs

Info

ID:

119973

PubChem CID:

50709212

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

581.15966

ΔHf, kcal/mol:

-117.86

Dipole, Da:

4.02

IP(EA), eV:

 -8.32(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]phenyl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations