Geometry & MOs

Info

ID:	301508
PubChem CID:	123083652
Reduced:	BrClSO2N4C20H20 (1)
Stoich.:	ABCD2E4F20G20 (1)
Weight, g/mol:	374.09681
ΔH_f, kcal/mol:	37.37
Dipole, Da:	9.26
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(5-methylfuran-2-yl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)O)Br)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations