Geometry & MOs

Info

ID:	299055
PubChem CID:	117670394
Reduced:	OSF3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	573.209264
ΔH_f, kcal/mol:	-86.05
Dipole, Da:	10.94
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2',7'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]

Drug info:

PubChemData

Smile

C1CC2(C1)C(=O)N(C(=S)N2C3=CC=C(C=C3)CN)C4=CC(=C(C=C4)C#N)C(F)(F)F

DOS

IR

Vibrations