Geometry & MOs

Info

ID:	395051
PubChem CID:	135024522
Reduced:	NSO2F3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	722.293328
ΔH_f, kcal/mol:	-219.78
Dipole, Da:	3.99
IP(EA), eV:	-9.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,16-dimethyl-1,5,6,7,8,12-hexakis-phenyl-13,16-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-14,15-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)SC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations