Geometry & MOs

Info

ID:	339497
PubChem CID:	127261430
Reduced:	ClNSO6H12C17 (1)
Stoich.:	ABCD6E12F17 (1)
Weight, g/mol:	170.073165
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	3.3
IP(EA), eV:	-9.04(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-cyclopenta-2,4-dien-1-ylideneprop-1-enyl]furan

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C3=CC=C(O3)[N+](=O)[O-])/S(=O)(=O)CCl

DOS

IR

Vibrations