Geometry & MOs

Info

ID:	86014
PubChem CID:	49881014
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	7.37
IP(EA), eV:	-8.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations