Geometry & MOs

Info

ID:	301531
PubChem CID:	123084562
Reduced:	FSCl2O2N5H12C17 (1)
Stoich.:	ABC2D2E5F12G17 (1)
Weight, g/mol:	366.017595
ΔH_f, kcal/mol:	67.88
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-2.04)
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-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations