Geometry & MOs

Info

ID:	413061
PubChem CID:	135086005
Reduced:	O4C7H8 (2)
Stoich.:	A4B7C8 (2)
Weight, g/mol:	515.125003
ΔH_f, kcal/mol:	-292.99
Dipole, Da:	4.25
IP(EA), eV:	-9.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 1-O,1-O-dimethyl 2-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C(C1=CC=CO1)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations