Geometry & MOs

Info

ID:	252999
PubChem CID:	103115378
Reduced:	O2S2N5H11C12 (1)
Stoich.:	A2B2C5D11E12 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	31.17
Dipole, Da:	6.71
IP(EA), eV:	-9.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC3=CSC=N3)C(=O)O

DOS

IR

Vibrations