Geometry & MOs

Info

ID:	142808
PubChem CID:	53094997
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	432.130777
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	3.35
IP(EA), eV:	-8.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=C(C=C2)C3=CC(=NO3)C)C

DOS

IR

Vibrations