Geometry & MOs

Info

ID:	381798
PubChem CID:	134972628
Reduced:	SCl2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	330.070595
ΔH_f, kcal/mol:	81.91
Dipole, Da:	5.21
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-5,10a-dihydro-1H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NNC(=S)N2CC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations