Geometry & MOs

Info

ID:

302322

PubChem CID:

124361235

Reduced:

ClN3O3H26C27 (1)

Stoich.:

AB3C3D26E27 (1)

Weight, g/mol:

455.197569

ΔHf, kcal/mol:

-63.48

Dipole, Da:

6.17

IP(EA), eV:

 -8.68(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5,7-dimethyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=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

DOS

IR

Vibrations