Geometry & MOs

Info

ID:	374096
PubChem CID:	131323650
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	5.18
IP(EA), eV:	-9.59(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethylphenyl)thiadiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(N=NS2)C(=O)O)C

DOS

IR

Vibrations