Geometry & MOs

Info

ID:	187200
PubChem CID:	77543446
Reduced:	FSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	496.204132
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	3.52
IP(EA), eV:	-9.04(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-chloro-6-fluorophenyl)-11-oxo-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadecan-15-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)O)CC2CSC3=C4N2C(=O)C=CC4=NC=C3F

DOS

IR

Vibrations