Geometry & MOs

Info

ID:	424154
PubChem CID:	135121538
Reduced:	NSO2H15C22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	372.210073
ΔH_f, kcal/mol:	33.92
Dipole, Da:	2.34
IP(EA), eV:	-9.08(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,4a,5,7,8a,9,9a,10a-octahydro-2H-xanthene-1,8-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC(=O)C3=CC(=NC=C3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations