Geometry & MOs

Info

ID:	86264
PubChem CID:	49883607
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	4.89
IP(EA), eV:	-9.06(-0.68)
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-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCCOC)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations