Geometry & MOs

Info

ID:	301587
PubChem CID:	123086945
Reduced:	SBr2O2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	494.01789
ΔH_f, kcal/mol:	57.9
Dipole, Da:	8.91
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-(2-chloro-3,4-dimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)OC)Br)SCC3=CC=C(C=C3)Br

DOS

IR

Vibrations