Geometry & MOs

Info

ID:	430105
PubChem CID:	135170163
Reduced:	NSF3O3H14C23 (1)
Stoich.:	ABC3D3E14F23 (1)
Weight, g/mol:	385.077265
ΔH_f, kcal/mol:	-171.7
Dipole, Da:	8.9
IP(EA), eV:	-9.25(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(S(=O)(=O)C4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations