Geometry & MOs

Info

ID:	86248
PubChem CID:	49883449
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	2.13
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations