Geometry & MOs

Info

ID:	405596
PubChem CID:	135074606
Reduced:	NS2O5C29H33 (1)
Stoich.:	AB2C5D29E33 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.43
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,2,4-tris(prop-2-enyl)cyclohex-4-ene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC#CC(C(C)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations