Geometry & MOs

Info

ID:	301493
PubChem CID:	123082202
Reduced:	OSBr2Cl2N4H10C16 (1)
Stoich.:	ABC2D2E4F10G16 (1)
Weight, g/mol:	470.01378
ΔH_f, kcal/mol:	104.85
Dipole, Da:	4.02
IP(EA), eV:	-9.53(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CSC2=NN=CN2NC=C3C=C(C(=O)C(=C3)Br)Br)Cl

DOS

IR

Vibrations