Geometry & MOs

Info

ID:	85468
PubChem CID:	49875487
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	199.97142
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	13.19
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylthieno[2,3-d]thiadiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1C(=C3C(=C2)CCCN3)C)C(=O)O

DOS

IR

Vibrations