Geometry & MOs

Info

ID:

93874

PubChem CID:

49997386

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-175.75

Dipole, Da:

7.32

IP(EA), eV:

 -8.94(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-chloro-4-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations