Geometry & MOs

Info

ID:	437259
PubChem CID:	135219410
Reduced:	OCl2N3C4H7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	522.425923
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	2.43
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dicyclohexyl-3-(1-cyclohexylhex-5-ynyl)-1-ethenyl-4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-thiol

Drug info:

PubChemData

Smile

CO/C(=C(/N)\Cl)/C(=N\N)/Cl

DOS

IR

Vibrations