Geometry & MOs

Info

ID:	301388
PubChem CID:	123080659
Reduced:	ClOSN4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	489.123753
ΔH_f, kcal/mol:	46.32
Dipole, Da:	7.34
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dimethoxy-5-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=CC=C2OCC(C)C)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations