Geometry & MOs

Info

ID:	73756
PubChem CID:	48420320
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	360.089226
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	2.12
IP(EA), eV:	-10.01(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OCCN2C=NC=N2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations