Geometry & MOs

Info

ID:	86281
PubChem CID:	49883748
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	474.103162
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	6.62
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)sulfonylacetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations