Geometry & MOs

Info

ID:

104001

PubChem CID:

50086854

Reduced:

O5N6C42H46 (1)

Stoich.:

A5B6C42D46 (1)

Weight, g/mol:

566.185146

ΔHf, kcal/mol:

-140.75

Dipole, Da:

4.7

IP(EA), eV:

 -8.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6)C

DOS

IR

Vibrations