Geometry & MOs

Info

ID:	57425
PubChem CID:	22395889
Reduced:	SCl2N2O7C24H28 (1)
Stoich.:	AB2C2D7E24F28 (1)
Weight, g/mol:	488.102906
ΔH_f, kcal/mol:	-277.36
Dipole, Da:	3.21
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations