Geometry & MOs

Info

ID:

102910

PubChem CID:

50070196

Reduced:

ClO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-160.82

Dipole, Da:

5.62

IP(EA), eV:

 -8.77(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations