Geometry & MOs

Info

ID:	301749
PubChem CID:	123094443
Reduced:	FSO2N5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	78.24
Dipole, Da:	7.12
IP(EA), eV:	-9.19(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations