Geometry & MOs

Info

ID:	398395
PubChem CID:	135033101
Reduced:	O5C39H42 (1)
Stoich.:	A5B39C42 (1)
Weight, g/mol:	413.129694
ΔH_f, kcal/mol:	-104.74
Dipole, Da:	1.97
IP(EA), eV:	-9.12(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1S)-1-(3-methyl-1H-indol-2-yl)-2-oxo-2-thiophen-2-ylethyl]propanedioate

Drug info:

PubChemData

Smile

C1CCC(=C2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C1

DOS

IR

Vibrations