Geometry & MOs

Info

ID:	302316
PubChem CID:	124361209
Reduced:	BrSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	505.07678
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	4.79
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H]2C[C@H](N[C@]23C4=C(C=CC(=C4)Br)NC3=O)CCSC

DOS

IR

Vibrations