Geometry & MOs

Info

ID:

119789

PubChem CID:

50701245

Reduced:

Cl3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-142.29

Dipole, Da:

5.47

IP(EA), eV:

 -8.93(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-[2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations