Geometry & MOs

Info

ID:	57480
PubChem CID:	22396022
Reduced:	SN2O7C24H30 (1)
Stoich.:	AB2C7D24E30 (1)
Weight, g/mol:	552.160008
ΔH_f, kcal/mol:	-258.55
Dipole, Da:	9.96
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[1-(4-methylsulfonylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations