Geometry & MOs

Info

ID:	196130
PubChem CID:	78786085
Reduced:	NOSC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	333.084636
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	5.28
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=O)CSC2=CC=CC=C2C

DOS

IR

Vibrations