Geometry & MOs

Info

ID:	301542
PubChem CID:	123084910
Reduced:	ClFSN5H19C21 (1)
Stoich.:	ABCD5E19F21 (1)
Weight, g/mol:	478.124168
ΔH_f, kcal/mol:	99.37
Dipole, Da:	2.19
IP(EA), eV:	-9.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(3,4,5-trimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N/C=C/2\C=NC3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations