Geometry & MOs

Info

ID:	201846
PubChem CID:	79592411
Reduced:	NSO5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	315.114044
ΔH_f, kcal/mol:	-208.83
Dipole, Da:	2.35
IP(EA), eV:	-9.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCS(=O)(=O)NC(CC(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations