Geometry & MOs

Info

ID:	402074
PubChem CID:	135054177
Reduced:	FNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	433.134779
ΔH_f, kcal/mol:	-131.74
Dipole, Da:	2.76
IP(EA), eV:	-9.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5R)-6-(4-methoxyphenyl)sulfonyl-3,5-diphenyl-6-azabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@]1(COC(=N1)C2=CC(=CC=C2)F)CC3=CC=CC=C3

DOS

IR

Vibrations