Geometry & MOs

Info

ID:	395793
PubChem CID:	135026560
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	363.092915
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	7.61
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11Z)-11-[(2-methoxyphenyl)methylidene]-6H-benzo[c][1,2]benzothiazepine 5,5-dioxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CN(C=CC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations