Geometry & MOs

Info

ID:	301240
PubChem CID:	123071360
Reduced:	FS2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	371.085224
ΔH_f, kcal/mol:	87.63
Dipole, Da:	5.57
IP(EA), eV:	-8.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=CS2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations