Geometry & MOs

Info

ID:	177485
PubChem CID:	76192821
Reduced:	PSO3C15H31 (1)
Stoich.:	ABC3D15E31 (1)
Weight, g/mol:	503.179146
ΔH_f, kcal/mol:	-227.71
Dipole, Da:	2.54
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-dimethyl-4-[(3-nitrophenyl)-(3,4,5-trimethoxyphenyl)methylidene]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCSC(CC)C=CP(=O)(OCC)OCC

DOS

IR

Vibrations