Geometry & MOs

Info

ID:	301345
PubChem CID:	123080454
Reduced:	ClSO2N4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	520.169975
ΔH_f, kcal/mol:	63.38
Dipole, Da:	6.27
IP(EA), eV:	-8.65(-0.95)
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-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations