Geometry & MOs

Info

ID:	253027
PubChem CID:	103115580
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	37.24
Dipole, Da:	5.5
IP(EA), eV:	-9.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations