Geometry & MOs

Info

ID:

108374

PubChem CID:

50242931

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

538.219175

ΔHf, kcal/mol:

-255.57

Dipole, Da:

10.06

IP(EA), eV:

 -9.0(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N(C)C

DOS

IR

Vibrations