Geometry & MOs

Info

ID:	301344
PubChem CID:	123080453
Reduced:	ClFSN4H18C19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	506.154325
ΔH_f, kcal/mol:	64.81
Dipole, Da:	5.52
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=CC=C2F)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations