Geometry & MOs

Info

ID:	184712
PubChem CID:	77195849
Reduced:	SCl2N2O3C27H28 (1)
Stoich.:	AB2C2D3E27F28 (1)
Weight, g/mol:	391.140671
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	7.59
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)NCCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations