Geometry & MOs

Info

ID:

117930

PubChem CID:

50621011

Reduced:

Cl2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-213.61

Dipole, Da:

3.84

IP(EA), eV:

 -8.69(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations