Geometry & MOs

Info

ID:	48684
PubChem CID:	11110499
Reduced:	BrSN2O2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	336.07249
ΔH_f, kcal/mol:	64.78
Dipole, Da:	5.41
IP(EA), eV:	-9.25(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-[(2-bromocyclohexen-1-yl)methyl]-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations