Geometry & MOs

Info

ID:	51044
PubChem CID:	12013661
Reduced:	S2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	358.084993
ΔH_f, kcal/mol:	77.74
Dipole, Da:	3.14
IP(EA), eV:	-8.41(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-bis(phenylsulfanyl)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

C1CC2CC1C(=C2SC3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations