Geometry & MOs

Info

ID:	229576
PubChem CID:	87568069
Reduced:	FO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	487.156577
ΔH_f, kcal/mol:	-85.37
Dipole, Da:	3.41
IP(EA), eV:	-9.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[4-[(E)-3-(cyclopropylamino)-3-oxo-2-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enoylamino]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC=C(C=C1)/C=C(\C=O)/C2=CC=C(C=C2)F

DOS

IR

Vibrations