Geometry & MOs

Info

ID:	24079
PubChem CID:	607760
Reduced:	SN2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	230.08777
ΔH_f, kcal/mol:	63.09
Dipole, Da:	3.46
IP(EA), eV:	-8.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5,6,7,8-tetrahydro-1,2,3-benzothiadiazine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=NN(S2)C3=CC=CC=C3

DOS

IR

Vibrations