Geometry & MOs

Info

ID:	133883
PubChem CID:	51608243
Reduced:	O2N7C26H39 (1)
Stoich.:	A2B7C26D39 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	3.94
IP(EA), eV:	-8.7(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,3S,3aS,6aR)-5-cyclopentyl-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

CC1CC(=O)N2C3CCCCC3N(C2C1C#N)C[C@H](CN4CCN(CC4)C5=NC(=CC(=N5)C)C)O

DOS

IR

Vibrations