Geometry & MOs

Info

ID:	392723
PubChem CID:	135017745
Reduced:	O11C25H28 (1)
Stoich.:	A11B25C28 (1)
Weight, g/mol:	472.145678
ΔH_f, kcal/mol:	-406.13
Dipole, Da:	5.15
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxo-1H-indol-2-yl]propanal

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2C3C1[C@@H]4O[C@H]5C(C([C@@H]([C@H](O5)CO)O)O)OC(=O)C6[C@H]([C@]3(C6O4)C(=O)O2)C7=CC=C(C=C7)O

DOS

IR

Vibrations