Geometry & MOs

Info

ID:	301491
PubChem CID:	123081967
Reduced:	OSCl2N4H26C30 (1)
Stoich.:	ABC2D4E26F30 (1)
Weight, g/mol:	549.84551
ΔH_f, kcal/mol:	106.18
Dipole, Da:	7.97
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=N\N3C(=NN=C3SCC4=CC(=C(C=C4)Cl)Cl)CCC5=CC=CC=C5

DOS

IR

Vibrations