Geometry & MOs

Info

ID:	253172
PubChem CID:	103116498
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	38.54
Dipole, Da:	6.94
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methylindazole-3-carbonyl)amino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2C(=C(N=N2)C(=O)O)C3=NC=CN3C

DOS

IR

Vibrations