Geometry & MOs

Info

ID:	341428
PubChem CID:	127264121
Reduced:	NSF3O3H8C13 (1)
Stoich.:	ABC3D3E8F13 (1)
Weight, g/mol:	326.011264
ΔH_f, kcal/mol:	-195.51
Dipole, Da:	1.56
IP(EA), eV:	-9.36(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,3-dichloro-7-oxo-6-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trienyl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1CSC2=C(C=CC(=C2)C(F)(F)F)C3=C1C(=NO3)C(=O)O

DOS

IR

Vibrations