Geometry & MOs

Info

ID:	301307
PubChem CID:	123071427
Reduced:	FSO4N5H18C19 (1)
Stoich.:	ABC4D5E18F19 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	5.39
Dipole, Da:	3.69
IP(EA), eV:	-9.2(-2.23)
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-(3-methoxy-2-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=C(C=C(C2=O)OC)[N+](=O)[O-])SCC3=CC=C(C=C3)F

DOS

IR

Vibrations