Geometry & MOs

Info

ID:	19790
PubChem CID:	572800
Reduced:	SO5H20C24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	420.103145
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	3.51
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 4-(4-methylphenoxy)sulfonyl-3H-indene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)C2=CCC3=C2C=CC=C3S(=O)(=O)OC4=CC=C(C=C4)C

DOS

IR

Vibrations