Geometry & MOs

Info

ID:	308074
PubChem CID:	125316853
Reduced:	NO8H19C24 (1)
Stoich.:	AB8C19D24 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-232.73
Dipole, Da:	5.37
IP(EA), eV:	-9.1(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C[C@H]([C@H]1C=C2C=C3C(=CC2=NC1=O)OCCO3)C4=C(C5=CC=CC=C5OC4=O)O

DOS

IR

Vibrations