Geometry & MOs

Info

ID:	19369
PubChem CID:	562767
Reduced:	SN2O6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	350.057257
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	4.99
IP(EA), eV:	-9.9(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations