Geometry & MOs

Info

ID:

106247

PubChem CID:

50154474

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-166.01

Dipole, Da:

10.51

IP(EA), eV:

 -9.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations