Geometry & MOs

Info

ID:	396130
PubChem CID:	135027513
Reduced:	NO2H23C30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	493.144471
ΔH_f, kcal/mol:	50.22
Dipole, Da:	5.27
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-2-benzoyl-1'-benzyl-5'-chloro-3-(4-methoxyphenyl)spiro[cyclopropane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3[C@@]4(C2=O)[C@@H]([C@H]4C(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations