Geometry & MOs

Info

ID:	55905
PubChem CID:	17397272
Reduced:	NO5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	331.085601
ΔH_f, kcal/mol:	-141.93
Dipole, Da:	4.65
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations