Geometry & MOs

Info

ID:	342912
PubChem CID:	127266075
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	319.048999
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	1.65
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethylsulfonyl)phenyl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NC2=C(C=CC=C2SC)OC

DOS

IR

Vibrations