Geometry & MOs

Info

ID:	46128
PubChem CID:	10522255
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	356.163243
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	6.24
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzylsulfanylmethyl)cyclohexyl]methylsulfanylmethylbenzene

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)[C@H](CC2=NC=CS2)O)[C@H](CC3=NC=CS3)O)C

DOS

IR

Vibrations