Geometry & MOs

Info

ID:	197587
PubChem CID:	78980214
Reduced:	SN2O2C9H14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	312.023849
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	6.15
IP(EA), eV:	-9.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanophenyl)sulfonylthiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N[C@@H](C)C1=CC=CC=N1

DOS

IR

Vibrations