Geometry & MOs

Info

ID:	380145
PubChem CID:	134965147
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	298.054277
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	3.53
IP(EA), eV:	-9.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-benzyl-4-chloro-3-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCC2=C1C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations