Geometry & MOs

Info

ID:	301581
PubChem CID:	123086734
Reduced:	BrSO2N4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	497.96835
ΔH_f, kcal/mol:	33.94
Dipole, Da:	9.12
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3,5-dichloro-4-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1C(=O)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations