Geometry & MOs

Info

ID:	39759
PubChem CID:	8142183
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	401.068156
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	2.05
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations