Geometry & MOs

Info

ID:	396129
PubChem CID:	135027512
Reduced:	NO3H17C22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	429.172879
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	2.03
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-2-benzoyl-1'-benzyl-3-phenylspiro[cyclopropane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@@]3(C1=O)[C@@H]([C@H]3C(=O)C4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations