Geometry & MOs

Info

ID:

105151

PubChem CID:

50106499

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-205.21

Dipole, Da:

5.59

IP(EA), eV:

 -8.99(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-methyl-3-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations