Geometry & MOs

Info

ID:	412185
PubChem CID:	135085060
Reduced:	BrNOSC14H17 (2)
Stoich.:	ABCDE14F17 (2)
Weight, g/mol:	224.107539
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	15.8
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2E,4S)-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-4-phenyl-1,3-oxazolidin-3-ide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C[N+]2=CSC(=C2C)CCO)C3=C(C=CC=C3C[N+]4=CSC(=C4C)CCO)C.[Br-].[Br-]

DOS

IR

Vibrations