Geometry & MOs

Info

ID:	114357
PubChem CID:	50480373
Reduced:	ClF2O3N4H27C28 (1)
Stoich.:	AB2C3D4E27F28 (1)
Weight, g/mol:	548.259897
ΔH_f, kcal/mol:	-171.44
Dipole, Da:	5.29
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations