Geometry & MOs

Info

ID:	192527
PubChem CID:	78280591
Reduced:	SO2F3N4C23H26 (1)
Stoich.:	AB2C3D4E23F26 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814943
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethylanilino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC[NH+](CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

DOS

IR

Vibrations