Geometry & MOs

Info

ID:

112388

PubChem CID:

50405212

Reduced:

N6O6C39H50 (1)

Stoich.:

A6B6C39D50 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-226.42

Dipole, Da:

9.69

IP(EA), eV:

 -8.21(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)C

DOS

IR

Vibrations