Geometry & MOs

Info

ID:	204369
PubChem CID:	79955255
Reduced:	ClSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	190.066365
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	4.38
IP(EA), eV:	-8.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,4-dimethylthiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(CSC1)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations