Geometry & MOs

Info

ID:	447252
PubChem CID:	135281476
Reduced:	O2N3F5H12C14 (1)
Stoich.:	A2B3C5D12E14 (1)
Weight, g/mol:	420.11398
ΔH_f, kcal/mol:	-246.12
Dipole, Da:	3.56
IP(EA), eV:	-10.16(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NCC1=C(C(=C(C=C1)C2=NOC(=N2)C(F)(F)F)F)F

DOS

IR

Vibrations