Geometry & MOs

Info

ID:	302311
PubChem CID:	124361194
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	513.12632
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	4.45
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C[C@H]([C@]2(N1)C3=CC=CC=C3NC2=O)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations