Geometry & MOs

Info

ID:	171855
PubChem CID:	75433775
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	7.77
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-cyclopropyl-N-(5-fluoro-2-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CC(=C1)S(=O)(=O)NCCNC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations