Geometry & MOs

Info

ID:	301646
PubChem CID:	123089917
Reduced:	SCl2N4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	526.099703
ΔH_f, kcal/mol:	113.11
Dipole, Da:	8.44
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=N\N2C=NN=C2SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations