Geometry & MOs

Info

ID:	388721
PubChem CID:	134989992
Reduced:	BrS2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	350.859648
ΔH_f, kcal/mol:	24.69
Dipole, Da:	6.2
IP(EA), eV:	-8.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichloro-2-methoxy-7,8lambda4-dithia-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-8-yl) perchlorate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=S(S2)Br)N

DOS

IR

Vibrations