Geometry & MOs

Info

ID:	301525
PubChem CID:	123084479
Reduced:	ClFSO4N5H19C20 (1)
Stoich.:	ABCD4E5F19G20 (1)
Weight, g/mol:	512.00847
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	4.06
IP(EA), eV:	-9.07(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OC)[N+](=O)[O-])/C=N\N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations