Geometry & MOs

Info

ID:

111568

PubChem CID:

50373078

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-226.41

Dipole, Da:

5.85

IP(EA), eV:

 -8.81(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4

DOS

IR

Vibrations