Geometry & MOs

Info

ID:	388314
PubChem CID:	134988755
Reduced:	NPS2O3C9H20 (1)
Stoich.:	ABC2D3E9F20 (1)
Weight, g/mol:	216.100643
ΔH_f, kcal/mol:	-194.81
Dipole, Da:	3.23
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-methylsulfanyl-5-prop-2-enylsulfanylhex-2-ene

Drug info:

PubChemData

Smile

CCNC(=S)C(P(=O)(OCC)OCC)SC

DOS

IR

Vibrations