Geometry & MOs

Info

ID:	194863
PubChem CID:	78599028
Reduced:	ClSF3N4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	417.132471
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	4.37
IP(EA), eV:	-8.98(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=CN=CC=C2

DOS

IR

Vibrations