Geometry & MOs

Info

ID:	388406
PubChem CID:	134989054
Reduced:	SN2O4C6H10 (1)
Stoich.:	AB2C4D6E10 (1)
Weight, g/mol:	270.074822
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	9.49
IP(EA), eV:	-9.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-yl)-6-methyl-5-oxoheptanedithioate

Drug info:

PubChemData

Smile

C1CCS(=C([N+](=O)[O-])[N+](=O)[O-])CC1

DOS

IR

Vibrations