Geometry & MOs

Info

ID:	253171
PubChem CID:	103116497
Reduced:	SN3O3H9C10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	14.14
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations