Geometry & MOs

Info

ID:	32810
PubChem CID:	7848600
Reduced:	FNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	359.062757
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	6.39
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations