Geometry & MOs

Info

ID:	301523
PubChem CID:	123084475
Reduced:	BrClFOSN4H15C21 (1)
Stoich.:	ABCDEF4G15H21 (1)
Weight, g/mol:	454.103038
ΔH_f, kcal/mol:	51.75
Dipole, Da:	3.62
IP(EA), eV:	-9.05(-1.57)
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-ethoxynaphthalen-1-yl)methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1N/C=C\2/C3=C(C=CC2=O)C=C(C=C3)Br)SCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations