Geometry & MOs

Info

ID:

302305

PubChem CID:

124361182

Reduced:

BrClN4O4C22H22 (1)

Stoich.:

ABC4D4E22F22 (1)

Weight, g/mol:

493.0404

ΔHf, kcal/mol:

-129.11

Dipole, Da:

6.69

IP(EA), eV:

 -8.75(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,5'R)-5-bromo-N-(5-chloro-2-methoxyphenyl)-5'-[(1R)-1-hydroxyethyl]-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](N[C@]23C4=C(C=CC(=C4)Br)NC3=O)CCC(=O)N

DOS

IR

Vibrations