Geometry & MOs

Info

ID:	301393
PubChem CID:	123080671
Reduced:	ClOSN4C26H27 (1)
Stoich.:	ABCD4E26F27 (1)
Weight, g/mol:	506.131003
ΔH_f, kcal/mol:	76.12
Dipole, Da:	8.1
IP(EA), eV:	-8.79(-1.09)
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-chloro-4,5-diethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=C(C=CC3=CC=CC=C32)OCC)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations