Geometry & MOs

Info

ID:	167843
PubChem CID:	74885883
Reduced:	BrFSN2O3H8C11 (1)
Stoich.:	ABCD2E3F8G11 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	5.83
IP(EA), eV:	-9.92(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)prop-2-enoylamino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=O)N=CC1S(=O)(=O)NC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations