Geometry & MOs

Info

ID:	32172
PubChem CID:	6435749
Reduced:	NOS3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	345.085721
ΔH_f, kcal/mol:	22.53
Dipole, Da:	5.06
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(furan-2-yl)-3-oxo-1-phenylprop-1-enyl] N,N-diethylcarbamodithioate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=S)S/C(=C/C(=O)C1=CC=CS1)/C2=CC=CC=C2

DOS

IR

Vibrations