Geometry & MOs

Info

ID:	234485
PubChem CID:	92298533
Reduced:	ClN2S2O4H9C17 (1)
Stoich.:	AB2C2D4E9F17 (1)
Weight, g/mol:	314.057693
ΔH_f, kcal/mol:	11.72
Dipole, Da:	5.2
IP(EA), eV:	-9.55(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-2,4-bis[(4-fluorophenyl)methylidene]thiolan-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations