Geometry & MOs

Info

ID:	158984
PubChem CID:	57244349
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	351.041273
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	1.89
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)sulfonyloxy-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C(=CC=CC1=CC=C(C=C1)C)C

DOS

IR

Vibrations