Geometry & MOs

Info

ID:	149867
PubChem CID:	53789546
Reduced:	SO2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	251.007471
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	4.56
IP(EA), eV:	-9.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)C(=O)O

DOS

IR

Vibrations