Geometry & MOs

Info

ID:

92675

PubChem CID:

49988943

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-227.15

Dipole, Da:

8.51

IP(EA), eV:

 -8.6(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(4-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations