Geometry & MOs

Info

ID:

107046

PubChem CID:

50186740

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-169.01

Dipole, Da:

4.33

IP(EA), eV:

 -9.18(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations