Geometry & MOs

Info

ID:	44766
PubChem CID:	10505838
Reduced:	ClSF2O3N4C23H23 (1)
Stoich.:	ABC2D3E4F23G23 (1)
Weight, g/mol:	507.893896
ΔH_f, kcal/mol:	-117.16
Dipole, Da:	5.85
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,8,9-tetrachloro-3-(3,4-dichlorophenyl)-2-(4-methylphenyl)-1-oxaspiro[3.5]nona-5,8-dien-7-one

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C4=C(N=CC=C4)Cl

DOS

IR

Vibrations