Geometry & MOs

Info

ID:	28329
PubChem CID:	827049
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	273.985528
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	5.73
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzo[b][1]benzothiepine-5,6-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

DOS

IR

Vibrations