Geometry & MOs

Info

ID:

103970

PubChem CID:

50086000

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-223.02

Dipole, Da:

13.43

IP(EA), eV:

 -8.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations