Geometry & MOs

Info

ID:

118475

PubChem CID:

50643871

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

655.26921

ΔHf, kcal/mol:

-182.36

Dipole, Da:

8.64

IP(EA), eV:

 -9.25(-0.71)

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-(3-methylpiperidine-1-carbonyl)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)NC(C)C)Cl

DOS

IR

Vibrations