Geometry & MOs

Info

ID:	301516
PubChem CID:	123084102
Reduced:	ClOSN4H25C26 (1)
Stoich.:	ABCD4E25F26 (1)
Weight, g/mol:	526.099703
ΔH_f, kcal/mol:	97.55
Dipole, Da:	6.06
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-chloro-4-ethoxy-5-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=CC=C3Cl)CC4=CC=CC=C4

DOS

IR

Vibrations