Geometry & MOs

Info

ID:	430168
PubChem CID:	135170231
Reduced:	SF2N2O2C15H16 (1)
Stoich.:	AB2C2D2E15F16 (1)
Weight, g/mol:	345.098749
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	4.12
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-fluorophenyl)-11,12-dihydro-5H-indeno[2,1-c][1,5]benzothiazepine

Drug info:

PubChemData

Smile

C#CCC1[C@H]2CNC[C@H]2CN1S(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations