Geometry & MOs

Info

ID:	301306
PubChem CID:	123071426
Reduced:	FS2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	431.106353
ΔH_f, kcal/mol:	74.46
Dipole, Da:	7.41
IP(EA), eV:	-8.98(-1.19)
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]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C=CS2)C)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations