Geometry & MOs

Info

ID:	133572
PubChem CID:	51555646
Reduced:	ClN3O5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	470.091902
ΔH_f, kcal/mol:	-145.98
Dipole, Da:	4.31
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(1R,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-5'-fluoro-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]3(C4=CC=CC=C4NC3=O)N[C@H]2[C@H](C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]3(C4=CC=CC=C4NC3=O)N[C@H]2[C@H](C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):