Geometry & MOs

Info

ID:	86269
PubChem CID:	49883638
Reduced:	SN3O4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	439.131425
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	5.97
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC=CC=C2C(=O)O)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations