Geometry & MOs

Info

ID:

118476

PubChem CID:

50643872

Reduced:

Cl2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-177.27

Dipole, Da:

11.62

IP(EA), eV:

 -9.23(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-chloro-4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCC(C5)C)Cl

DOS

IR

Vibrations