Geometry & MOs

Info

ID:	57401
PubChem CID:	22395833
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	486.041913
ΔH_f, kcal/mol:	-201.11
Dipole, Da:	12.14
IP(EA), eV:	-9.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dichlorophenyl)sulfonylamino]-3-[4-(3-hydroxypyrrolidine-2-carbonyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations