Geometry & MOs

Info

ID:	378734
PubChem CID:	134224830
Reduced:	SF3O3N7C18H18 (1)
Stoich.:	AB3C3D7E18F18 (1)
Weight, g/mol:	382.146999
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	2.14
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations