Geometry & MOs

Info

ID:	177226
PubChem CID:	76148420
Reduced:	ClNSF2O3C20H20 (1)
Stoich.:	ABCD2E3F20G20 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-193.05
Dipole, Da:	4.55
IP(EA), eV:	-9.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzenesulfonyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations