Geometry & MOs

Info

ID:	132382
PubChem CID:	51353355
Reduced:	ClSN3O6H20C24 (1)
Stoich.:	ABC3D6E20F24 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	8.4
IP(EA), eV:	-8.64(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4-trimethyl-5-(1-phenylethyl)furan-3-one

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations