Geometry & MOs

Info

ID:	342039
PubChem CID:	127264752
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	9.18
IP(EA), eV:	-8.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(N=C1)S(=O)(=O)NC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations