Geometry & MOs

Info

ID:	86284
PubChem CID:	49883767
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-71.84
Dipole, Da:	0.41
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations