Geometry & MOs

Info

ID:	253008
PubChem CID:	103115422
Reduced:	SO3N4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	295.07391
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	7.26
IP(EA), eV:	-9.61(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-amino-2-oxoethyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC3=COC=C3)C(=O)O

DOS

IR

Vibrations