Geometry & MOs

Info

ID:

133297

PubChem CID:

51505240

Reduced:

BrSN2O5H13C20 (1)

Stoich.:

ABC2D5E13F20 (1)

Weight, g/mol:

475.192963

ΔHf, kcal/mol:

-32.98

Dipole, Da:

23.23

IP(EA), eV:

 -7.67(-3.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,3aS,6aS)-5-benzyl-1'-(2-methylprop-2-enyl)-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)/C=C\2/C(=NC(=S)N(C2=O)C3=CC(=CC=C3)Br)[O-]

DOS

IR

Vibrations