Geometry & MOs

Info

ID:

115277

PubChem CID:

50516268

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-224.29

Dipole, Da:

8.82

IP(EA), eV:

 -8.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)Cl

DOS

IR

Vibrations