Geometry & MOs

Info

ID:	302318
PubChem CID:	124361226
Reduced:	NO11H23C24 (1)
Stoich.:	AB11C23D24 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-363.52
Dipole, Da:	2.28
IP(EA), eV:	-8.66(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(3S,3'R,5'S)-7-methyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N[C@H](CC(=O)O)C(=O)O

DOS

IR

Vibrations