Geometry & MOs

Info

ID:

302304

PubChem CID:

124361171

Reduced:

BrClN3O3H21C22 (1)

Stoich.:

ABC3D3E21F22 (1)

Weight, g/mol:

520.0513

ΔHf, kcal/mol:

-76.08

Dipole, Da:

6.18

IP(EA), eV:

 -8.73(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,5'S)-5'-(3-amino-3-oxopropyl)-5-bromo-N-(5-chloro-2-methoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H]3CCCN3[C@]24C5=C(C=CC(=C5)Br)NC4=O

DOS

IR

Vibrations