Geometry & MOs

Info

ID:	57424
PubChem CID:	22395879
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	558.099428
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	10.83
IP(EA), eV:	-9.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(2-ethoxyethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)N(CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)O

DOS

IR

Vibrations