Geometry & MOs

Info

ID:	307855
PubChem CID:	125309992
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	30.59
Dipole, Da:	6.88
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,3R,3aS,6aS)-5-[(2S)-butan-2-yl]-6',7'-dimethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=CC=C(C=C2)N)CO

DOS

IR

Vibrations