Geometry & MOs

Info

ID:	301248
PubChem CID:	123071368
Reduced:	FSO2N5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	394.022201
ΔH_f, kcal/mol:	83.5
Dipole, Da:	4.57
IP(EA), eV:	-9.18(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)F

DOS

IR

Vibrations