Geometry & MOs

Info

ID:

115536

PubChem CID:

50526420

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-193.41

Dipole, Da:

4.38

IP(EA), eV:

 -9.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations