Geometry & MOs

Info

ID:	384450
PubChem CID:	134977012
Reduced:	SN2O3H20C28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	494.273342
ΔH_f, kcal/mol:	34.07
Dipole, Da:	9.33
IP(EA), eV:	-8.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,9S,10R)-10-(4-fluorophenyl)-5,9-diphenyl-6,7-di(propan-2-yl)-1,11-diazatricyclo[5.3.1.04,11]undec-5-en-8-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations