Geometry & MOs

Info

ID:

302315

PubChem CID:

124361207

Reduced:

ClN3O3C28H28 (1)

Stoich.:

AB3C3D28E28 (1)

Weight, g/mol:

489.07218

ΔHf, kcal/mol:

-72.06

Dipole, Da:

2.58

IP(EA), eV:

 -8.65(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,5'S)-5-bromo-N-(4-methoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@]3([C@@H](C[C@H](N3)CC4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)Cl)OC)C(=O)N2)C

DOS

IR

Vibrations