Geometry & MOs

Info

ID:	35408
PubChem CID:	7979818
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	349.035315
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	5.18
IP(EA), eV:	-8.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)CCC(=O)C2=CC=CS2)OC

DOS

IR

Vibrations