Geometry & MOs

Info

ID:	61613
PubChem CID:	26710953
Reduced:	BrOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	6.69
Dipole, Da:	3.85
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)SCC(=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations