Geometry & MOs

Info

ID:	38288
PubChem CID:	8029295
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	419.124798
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,3S,3aS,6aS)-5-butyl-5'-chloro-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-1-yl]propanoate

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)O)C(=O)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=O

DOS

IR

Vibrations