Geometry & MOs

Info

ID:	149546
PubChem CID:	53789219
Reduced:	O3N8C35H38 (1)
Stoich.:	A3B8C35D38 (1)
Weight, g/mol:	113.97755
ΔH_f, kcal/mol:	28.08
Dipole, Da:	2.99
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-sulfanylidenefuran-2-one

Drug info:

PubChemData

Smile

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C(=O)N2CCC6=CC=CC=C6)CCOC

DOS

IR

Vibrations