Geometry & MOs

Info

ID:	57497
PubChem CID:	22396078
Reduced:	SCl2N2O6C25H30 (1)
Stoich.:	AB2C2D6E25F30 (1)
Weight, g/mol:	558.099428
ΔH_f, kcal/mol:	-252.35
Dipole, Da:	8.09
IP(EA), eV:	-8.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-[1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-ethoxy-1-oxopropan-2-yl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations