Geometry & MOs

Info

ID:	57471
PubChem CID:	22396007
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	490.177372
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	4.06
IP(EA), eV:	-9.13(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(2-ethoxyethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations