Geometry & MOs

Info

ID:	163798
PubChem CID:	74380331
Reduced:	F2N2O8C21H28 (1)
Stoich.:	A2B2C8D21E28 (1)
Weight, g/mol:	443.065043
ΔH_f, kcal/mol:	-405.03
Dipole, Da:	6.69
IP(EA), eV:	-9.08(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-nitrophenyl)-5-phenyloxolan-3-ylidene]ethyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)OC2(C(C(C(C(O2)CO)O)O)O)O)CC3=CC(=C(C=C3F)OC)F

DOS

IR

Vibrations