Geometry & MOs

Info

ID:

96841

PubChem CID:

50024895

Reduced:

N6O6C41H52 (1)

Stoich.:

A6B6C41D52 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-176.83

Dipole, Da:

8.26

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations