Geometry & MOs

Info

ID:	252998
PubChem CID:	103115367
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	321.035417
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	5.23
IP(EA), eV:	-9.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2C(C)C(=O)NC)C(=O)O

DOS

IR

Vibrations