Geometry & MOs

Info

ID:	301264
PubChem CID:	123071384
Reduced:	SF4N4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	356.110711
ΔH_f, kcal/mol:	-81.74
Dipole, Da:	6.94
IP(EA), eV:	-8.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[[[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=CC=C2)C(F)(F)F)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations