Geometry & MOs

Info

ID:	314952
PubChem CID:	126624006
Reduced:	ClF2N2O4C18H23 (1)
Stoich.:	AB2C2D4E18F23 (1)
Weight, g/mol:	420.150365
ΔH_f, kcal/mol:	-288.57
Dipole, Da:	2.72
IP(EA), eV:	-9.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-adamantyl)-5-chloro-2-fluoro-3-methoxybenzoyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)N[C@@H](CO)C2=C(C(=CC=C2)Cl)F)F

DOS

IR

Vibrations