Geometry & MOs

Info

ID:	301367
PubChem CID:	123080562
Reduced:	ClSN5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	444.138675
ΔH_f, kcal/mol:	144.85
Dipole, Da:	1.16
IP(EA), eV:	-9.07(-1.43)
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-ethoxy-2-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N/C=C/2\C=NC3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations