Geometry & MOs

Info

ID:	124890
PubChem CID:	50901613
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	199.996572
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	1.16
IP(EA), eV:	-8.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-yl)-3-oxopropanedithioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C2N1C=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

DOS

IR

Vibrations