Geometry & MOs

Info

ID:	301521
PubChem CID:	123084472
Reduced:	ClFSO4N5H15C18 (1)
Stoich.:	ABCD4E5F15G18 (1)
Weight, g/mol:	440.087388
ΔH_f, kcal/mol:	10.56
Dipole, Da:	8.07
IP(EA), eV:	-9.32(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(2-methoxynaphthalen-1-yl)methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1N/C=C\2/C=C(C(=O)C(=C2)OC)[N+](=O)[O-])SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations