Geometry & MOs

Info

ID:	388678
PubChem CID:	134989861
Reduced:	S2N3C8H15 (1)
Stoich.:	A2B3C8D15 (1)
Weight, g/mol:	444.73763
ΔH_f, kcal/mol:	40.28
Dipole, Da:	1.42
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibromo(4lambda4,6-dithia-2,5,8-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,7,9,11-hexaen-4-yl)-lambda3-bromane

Drug info:

PubChemData

Smile

CNCCCCC1=NN=C(S1)SC

DOS

IR

Vibrations