Geometry & MOs

Info

ID:	447280
PubChem CID:	135281735
Reduced:	NCl2O4C29H29 (1)
Stoich.:	AB2C4D29E29 (1)
Weight, g/mol:	436.088908
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	6.85
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorobenzoyl)-3-fluoro-5-(4-fluorooxane-4-carbonyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)C(N(C2=O)CC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)O

DOS

IR

Vibrations