Geometry & MOs

Info

ID:	170687
PubChem CID:	75268104
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	296.06532
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	2.49
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxypropyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6-trien-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(C)NS(=O)(=O)C2CNNC2

DOS

IR

Vibrations