Geometry & MOs

Info

ID:	121262
PubChem CID:	50760998
Reduced:	SO2F4N4H8C17 (1)
Stoich.:	AB2C4D4E8F17 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	3.68
IP(EA), eV:	-9.1(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-phenylbutanamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC3=C2N=CN(C3=O)CC(=O)NC4=C(C(=CC(=C4F)F)F)F

DOS

IR

Vibrations