Geometry & MOs

Info

ID:

111299

PubChem CID:

50361561

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-209.13

Dipole, Da:

4.32

IP(EA), eV:

 -8.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations