Geometry & MOs

Info

ID:	301342
PubChem CID:	123080440
Reduced:	ClSO3N4C24H29 (1)
Stoich.:	ABC3D4E24F29 (1)
Weight, g/mol:	506.154325
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	4.77
IP(EA), eV:	-8.72(-0.98)
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-4-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations