Geometry & MOs

Info

ID:	307477
PubChem CID:	125307118
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	31.5
Dipole, Da:	7.65
IP(EA), eV:	-9.25(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,3S,3aS,6aS)-5-cycloheptyl-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

COC1=CC=C(C=C1)C2=C3CON=C3C(=O)N=N2

DOS

IR

Vibrations