Geometry & MOs

Info

ID:	27466
PubChem CID:	821463
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	329.047027
ΔH_f, kcal/mol:	36.08
Dipole, Da:	4.35
IP(EA), eV:	-8.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N=C2N3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations