Geometry & MOs

Info

ID:	178374
PubChem CID:	76317646
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	514.07529
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	2.96
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3'R,4'R)-5-bromo-4'-(1H-imidazol-2-yl)-3'-(1H-indole-3-carbonyl)-1'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonitrile

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H](C=C2CCN3[C@H]2[C@@H]1C4=CC5=C(C=C4C3)OCO5)O

DOS

IR

Vibrations