Geometry & MOs

Info

ID:	384528
PubChem CID:	134977165
Reduced:	N2S2O3H16C25 (1)
Stoich.:	A2B2C3D16E25 (1)
Weight, g/mol:	504.314064
ΔH_f, kcal/mol:	52.85
Dipole, Da:	9.23
IP(EA), eV:	-8.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,9S,10R)-3,3-dimethyl-5,9,10-triphenyl-6,7-di(propan-2-yl)-1,11-diazatricyclo[5.3.1.04,11]undec-5-en-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CC=C(C3=C2OS(=O)(=O)C4=CC=CS4)C#N)C5=CC=CC=C5

DOS

IR

Vibrations