Geometry & MOs

Info

ID:	132967
PubChem CID:	51454494
Reduced:	NO2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	457.139961
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	8.34
IP(EA), eV:	-8.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S)-4'-(1-benzofuran-2-carbonyl)-1-methyl-2,2'-dioxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[indole-3,5'-pyrrole]-3'-olate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@H](C2([C@@H]3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=CC=CO5

DOS

IR

Vibrations