Geometry & MOs

Info

ID:	448494
PubChem CID:	135291361
Reduced:	NF3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	383.076219
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	4.75
IP(EA), eV:	-9.32(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl] N-(1,3-benzothiazol-2-yl)-N'-methylcarbamimidothioate

Drug info:

PubChemData

Smile

CC(=C/C(=C(/C(F)(F)F)\N=C)/C(C)(C)C)C

DOS

IR

Vibrations