Geometry & MOs

Info

ID:	86263
PubChem CID:	49883606
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-0.48)
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-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCCOC2=CC=CC(=C2)C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations