Geometry & MOs

Info

ID:

302320

PubChem CID:

124361230

Reduced:

ClN3O4C23H26 (1)

Stoich.:

AB3C4D23E26 (1)

Weight, g/mol:

499.210721

ΔHf, kcal/mol:

-142.58

Dipole, Da:

4.49

IP(EA), eV:

 -8.67(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[(3S,3'R,5'R)-5'-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@]3([C@@H](C[C@@H](N3)[C@@H](C)O)C(=O)NC4=C(C=CC(=C4)Cl)OC)C(=O)N2)C

DOS

IR

Vibrations