Geometry & MOs

Info

ID:	195539
PubChem CID:	78697223
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	348.101802
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	10.6
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations