Geometry & MOs

Info

ID:	59423
PubChem CID:	24860236
Reduced:	FN3H16C18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	481.128312
ΔH_f, kcal/mol:	49.94
Dipole, Da:	3.45
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-12-oxo-N-(3,4,5-trifluorophenyl)-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1N=C(CC3=CC=CC=C3F)NC#N

DOS

IR

Vibrations