Geometry & MOs

Info

ID:

92534

PubChem CID:

49987838

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-238.47

Dipole, Da:

4.39

IP(EA), eV:

 -9.08(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations