Geometry & MOs

Info

ID:

112135

PubChem CID:

50396463

Reduced:

Cl2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-183.85

Dipole, Da:

3.83

IP(EA), eV:

 -8.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC(=C5)Cl)Cl)C

DOS

IR

Vibrations