Geometry & MOs

Info

ID:	57478
PubChem CID:	22396017
Reduced:	SCl2N2O5C22H24 (1)
Stoich.:	AB2C2D5E22F24 (1)
Weight, g/mol:	493.993998
ΔH_f, kcal/mol:	-188.51
Dipole, Da:	6.35
IP(EA), eV:	-9.75(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4,5-dichlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(3-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations