Geometry & MOs

Info

ID:	380630
PubChem CID:	134971128
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	520.086175
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	4.9
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(4-methylphenyl)sulfonylacetyl]oxymethyl]furan-3-yl]methyl 2-(4-methylphenyl)sulfonylacetate

Drug info:

PubChemData

Smile

C=C1CCC2=CC=CC(=O)N2C1

DOS

IR

Vibrations