Geometry & MOs

Info

ID:	390459
PubChem CID:	134999268
Reduced:	OSF3N3H6C11 (1)
Stoich.:	ABC3D3E6F11 (1)
Weight, g/mol:	318.206919
ΔH_f, kcal/mol:	-115.08
Dipole, Da:	8.13
IP(EA), eV:	-9.58(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-cyclohexyl-2-ethoxy-2-oxoethylidene)-ethyl-(4-methoxyphenyl)azanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=C(C(=O)NS2)C#N)C(F)(F)F

DOS

IR

Vibrations