Geometry & MOs

Info

ID:	301645
PubChem CID:	123089916
Reduced:	SCl2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	376.031623
ΔH_f, kcal/mol:	96.8
Dipole, Da:	5.69
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations