Geometry & MOs

Info

ID:	301510
PubChem CID:	123083796
Reduced:	ClSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	522.04919
ΔH_f, kcal/mol:	113.5
Dipole, Da:	8.43
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(5-bromo-2,3-dimethoxyphenyl)-N-[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations