Geometry & MOs

Info

ID:	301409
PubChem CID:	123080707
Reduced:	SO2Cl3N4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	484.02943
ΔH_f, kcal/mol:	16.42
Dipole, Da:	7.31
IP(EA), eV:	-8.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[[[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methylidene]-2,4-dichloro-3-hydroxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2OC)Cl)OC)Cl)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations