Geometry & MOs

Info

ID:

119137

PubChem CID:

50671086

Reduced:

Cl2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-155.22

Dipole, Da:

6.33

IP(EA), eV:

 -9.0(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations