Geometry & MOs

Info

ID:	410660
PubChem CID:	135083461
Reduced:	S2O4C25H40 (1)
Stoich.:	A2B4C25D40 (1)
Weight, g/mol:	238.106122
ΔH_f, kcal/mol:	-203.59
Dipole, Da:	4.64
IP(EA), eV:	-8.55(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-butyl-(butylsulfonylmethylidene)-methyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C[C@@H](CC[C@H]1C(OC(O1)(C)C)(C)C)[C@@H](CC2SCCCS2)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations