Geometry & MOs

Info

ID:	63629
PubChem CID:	26758814
Reduced:	NF2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	437.02741
ΔH_f, kcal/mol:	-244.1
Dipole, Da:	6.41
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations