Geometry & MOs

Info

ID:	447268
PubChem CID:	135281622
Reduced:	ClFNO4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	420.11398
ΔH_f, kcal/mol:	-187.16
Dipole, Da:	4.82
IP(EA), eV:	-9.04(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)-3-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C)(C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)O)O

DOS

IR

Vibrations