Geometry & MOs

Info

ID:	233400
PubChem CID:	89855823
Reduced:	ClFN3O4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	440.151428
ΔH_f, kcal/mol:	-176.1
Dipole, Da:	1.22
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CC=C1)N2CC[C@](C2=O)(C(=O)NCC3=CC(=CC(=C3)Cl)F)O

DOS

IR

Vibrations