Geometry & MOs

Info

ID:	13600
PubChem CID:	395787
Reduced:	NS2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	311.0286
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	2.97
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N3CSCC3C(=O)S2)OC

DOS

IR

Vibrations