Geometry & MOs

Info

ID:	86319
PubChem CID:	49884085
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	5.27
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-ethylsulfanyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1C(C)C)SC2=NN=C(N2C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations