Geometry & MOs

Info

ID:	51946
PubChem CID:	12014717
Reduced:	NOSH10C15 (2)
Stoich.:	ABCD10E15 (2)
Weight, g/mol:	284.13655
ΔH_f, kcal/mol:	91.86
Dipole, Da:	6.65
IP(EA), eV:	-8.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[(Z)-4-chlorohex-3-en-3-yl]sulfanylmethylidene]-2,2-dimethylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C3C=CC=C(C3=NC=C2)SSC4=CC=CC5=C(C=CN=C54)OC6=CC=CC=C6

DOS

IR

Vibrations