Geometry & MOs

Info

ID:

93360

PubChem CID:

49994032

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-179.86

Dipole, Da:

4.68

IP(EA), eV:

 -8.92(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC

DOS

IR

Vibrations