Geometry & MOs

Info

ID:	28390
PubChem CID:	827349
Reduced:	NOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	4.41
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-9-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)CC(=O)N

DOS

IR

Vibrations