Geometry & MOs

Info

ID:	301647
PubChem CID:	123089949
Reduced:	SCl2O2N4H24C26 (1)
Stoich.:	AB2C2D4E24F26 (1)
Weight, g/mol:	468.034516
ΔH_f, kcal/mol:	55.97
Dipole, Da:	10.17
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-4-propoxyphenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=CC(=C2)/C=N\N3C(=NN=C3SCC4=C(C=C(C=C4)Cl)Cl)C)OC

DOS

IR

Vibrations