Geometry & MOs

Info

ID:	86518
PubChem CID:	49886555
Reduced:	SF3N3O4C11H14 (1)
Stoich.:	AB3C3D4E11F14 (1)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-289.91
Dipole, Da:	5.43
IP(EA), eV:	-9.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzyl-2-formylphenoxy)acetic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)NN)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations