Geometry & MOs

Info

ID:	253000
PubChem CID:	103115383
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	6.48
IP(EA), eV:	-9.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC(C)OC)C(=O)O

DOS

IR

Vibrations