Geometry & MOs

Info

ID:	166147
PubChem CID:	74642699
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	343.121986
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	6.14
IP(EA), eV:	-8.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations