Geometry & MOs

Info

ID:	301262
PubChem CID:	123071382
Reduced:	FSN5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	404.01066
ΔH_f, kcal/mol:	94.37
Dipole, Da:	3.99
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromophenyl)-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=CN=CC=C2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations