Geometry & MOs

Info

ID:	85993
PubChem CID:	49880867
Reduced:	SN4O4H22C25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	6.7
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)O)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations