Geometry & MOs

Info

ID:	195541
PubChem CID:	78697225
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	318.091238
ΔH_f, kcal/mol:	-84.42
Dipole, Da:	7.38
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OC)OCC)C(=O)O

DOS

IR

Vibrations