Geometry & MOs

Info

ID:	309473
PubChem CID:	126546485
Reduced:	ClF3O3S3N4H18C20 (1)
Stoich.:	AB3C3D3E4F18G20 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-194.04
Dipole, Da:	9.33
IP(EA), eV:	-8.99(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1,4-benzothiazine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)N[C@H](C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations