Geometry & MOs

Info

ID:	398396
PubChem CID:	135033109
Reduced:	NSO5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	437.183838
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	3.12
IP(EA), eV:	-8.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1S)-1-(5-methoxy-3-methyl-1H-indol-2-yl)-2-oxo-2-phenylethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H](C1=C(C2=CC=CC=C2N1)C)C(=O)C3=CC=CS3)C(=O)OCC

DOS

IR

Vibrations