Geometry & MOs

Info

ID:

116477

PubChem CID:

50562448

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-196.69

Dipole, Da:

7.59

IP(EA), eV:

 -9.2(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)Cl

DOS

IR

Vibrations