Geometry & MOs

Info

ID:	57499
PubChem CID:	22396104
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	452.080885
ΔH_f, kcal/mol:	-177.05
Dipole, Da:	9.23
IP(EA), eV:	-9.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)sulfonylamino]-3-[4-(3-hydroxypyrrolidine-2-carbonyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C

DOS

IR

Vibrations