Geometry & MOs

Info

ID:

307460

PubChem CID:

125299992

Reduced:

SN4O5C27H30 (1)

Stoich.:

AB4C5D27E30 (1)

Weight, g/mol:

419.148121

ΔHf, kcal/mol:

-107.44

Dipole, Da:

7.42

IP(EA), eV:

 -8.93(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,3S,3aS,6aS)-5-(3-methylphenyl)-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

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CC2=C3C=CC=CC3=NC2)NC(=O)[C@H]4C(S(=O)(=O)[C@@H]5N4C(=O)C5)(C)C

DOS

IR

Vibrations