Geometry & MOs

Info

ID:

116029

PubChem CID:

50544028

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-218.56

Dipole, Da:

7.64

IP(EA), eV:

 -9.03(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations