Geometry & MOs

Info

ID:	14601
PubChem CID:	415876
Reduced:	NSH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	225.061221
ΔH_f, kcal/mol:	69.57
Dipole, Da:	1.35
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2H-1,4-benzothiazine

Drug info:

PubChemData

Smile

C1C(=NC2=CC=CC=C2S1)C3=CC=CC=C3

DOS

IR

Vibrations