Geometry & MOs

Info

ID:

95348

PubChem CID:

50008589

Reduced:

O5N6C27H34 (1)

Stoich.:

A5B6C27D34 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-190.07

Dipole, Da:

10.74

IP(EA), eV:

 -8.94(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations