Geometry & MOs

Info

ID:	275584
PubChem CID:	103816683
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	313.114793
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	6.37
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC(=O)CC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations