Geometry & MOs

Info

ID:	373064
PubChem CID:	131309346
Reduced:	BrNSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	191.072848
ΔH_f, kcal/mol:	9.14
Dipole, Da:	2.89
IP(EA), eV:	-9.77(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,4a,5,6,7,8-octahydropyrazino[1,2-b][1,2,6]thiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1=C(C=C2C(=CSC2=C1C=O)[N+](=O)[O-])CBr

DOS

IR

Vibrations