Geometry & MOs

Info

ID:

103247

PubChem CID:

50071359

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-233.04

Dipole, Da:

8.07

IP(EA), eV:

 -8.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations