Geometry & MOs

Info

ID:	47821
PubChem CID:	10535474
Reduced:	O3N4C6H6 (1)
Stoich.:	A3B4C6D6 (1)
Weight, g/mol:	184.019415
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	0.02
IP(EA), eV:	-10.69(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(furan-2-yl)-2-oxoethyl] ethanethioate

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)[15N+]#[15N])[O-]

DOS

IR

Vibrations