Geometry & MOs

Info

ID:	84618
PubChem CID:	49868641
Reduced:	SO2F3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	462.186732
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	4.24
IP(EA), eV:	-8.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4

DOS

IR

Vibrations