Geometry & MOs

Info

ID:	301289
PubChem CID:	123071409
Reduced:	BrFSO2N4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	358.106374
ΔH_f, kcal/mol:	11.75
Dipole, Da:	2.16
IP(EA), eV:	-8.92(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=C(C=C(C2=O)OC)Br)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations