Geometry & MOs

Info

ID:	220870
PubChem CID:	85240227
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	66.19
Dipole, Da:	5.33
IP(EA), eV:	-9.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-fluoro-2-(methoxycarbonylamino)-4-phenylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC12C3C4CC(=O)C3C5C2C4C(C5=O)Br

DOS

IR

Vibrations