Geometry & MOs

Info

ID:	235085
PubChem CID:	92304012
Reduced:	ClFNO3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	319.121986
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	2.54
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-2-(4-fluorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=CC(=CC=C2)F)C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations