Geometry & MOs

Info

ID:	371998
PubChem CID:	131285336
Reduced:	BrNSO2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	182.08777
ΔH_f, kcal/mol:	-5.56
Dipole, Da:	3.9
IP(EA), eV:	-10.16(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6-trimethyl-3,4-dihydropyrrolo[3,4-b][1,4]thiazine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)S(=O)(=O)C=C2CCC#N

DOS

IR

Vibrations