Geometry & MOs

Info

ID:	253007
PubChem CID:	103115420
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-32.97
Dipole, Da:	7.55
IP(EA), eV:	-9.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(furan-3-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCN1C(=C(N=N1)C(=O)O)C2=C(N=C(S2)C)C

DOS

IR

Vibrations