Geometry & MOs

Info

ID:	339495
PubChem CID:	127261428
Reduced:	NCl2O3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	6.23
Dipole, Da:	5.73
IP(EA), eV:	-9.55(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-[(E)-3,3-dimethylbut-1-enyl]sulfinyl]furan

Drug info:

PubChemData

Smile

C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=C(Cl)Cl

DOS

IR

Vibrations