Geometry & MOs

Info

ID:	303520
PubChem CID:	124489853
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	187.030314
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	4.57
IP(EA), eV:	-9.29(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-pyridin-4-ylethanesulfonic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)N

DOS

IR

Vibrations