Geometry & MOs

Info

ID:	159070
PubChem CID:	57260112
Reduced:	OF2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	378.162666
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	3.73
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]-N-phenylbenzenecarboximidamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)C3

DOS

IR

Vibrations