Geometry & MOs

Info

ID:	401436
PubChem CID:	135051271
Reduced:	S3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	337.977494
ΔH_f, kcal/mol:	32.45
Dipole, Da:	3.58
IP(EA), eV:	-8.31(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethyl-9-methylsulfanyl-7,8lambda4-dithiabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-8-yl) methyl sulfate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=S(S2)SC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations