Geometry & MOs

Info

ID:

402319

PubChem CID:

135055498

Reduced:

BrN2O2H29C36 (1)

Stoich.:

AB2C2D29E36 (1)

Weight, g/mol:

491.149951

ΔHf, kcal/mol:

72.36

Dipole, Da:

1.68

IP(EA), eV:

 -8.49(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1R,2S,3aR,4S,5R,7aR)-1-(2-chlorophenyl)-6-formyl-1',5-dimethyl-2',3-dioxospiro[2,3a,5,7a-tetrahydro-1H-indene-4,3'-indole]-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](NC2=C(C=CC=C2[C@H]1NC(=O)OCC3=CC=CC=C3)CC#CC4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)Br

DOS

IR

Vibrations