Geometry & MOs

Info

ID:	63045
PubChem CID:	26738216
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	315.036543
ΔH_f, kcal/mol:	-107.43
Dipole, Da:	3.72
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-8-fluoro-3-[(3-nitrophenyl)methylidene]thiochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NNC(=O)COC2=NOC(=C2)C

DOS

IR

Vibrations