Geometry & MOs

Info

ID:	417718
PubChem CID:	135102543
Reduced:	FNSO3C17H24 (1)
Stoich.:	ABCD3E17F24 (1)
Weight, g/mol:	501.27399
ΔH_f, kcal/mol:	-173.79
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,19-dioxa-4,14,15,16,26-pentazahexacyclo[24.2.2.21,4.220,23.16,10.113,16]hexatriaconta-6(34),7,9,13(33),14,20(32),21,23(31)-octaen-25-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3OC)F

DOS

IR

Vibrations