Geometry & MOs

Info

ID:	440777
PubChem CID:	135231415
Reduced:	NSO2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	483.21271
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	6.54
IP(EA), eV:	-9.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-N'-hydroxy-N-[1-[methylamino-[1-(4-methylsulfonylpiperidin-1-yl)ethyl]amino]ethylidene]-3-(trifluoromethoxy)hepta-2,4-dienimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CN=CS3

DOS

IR

Vibrations