Geometry & MOs

Info

ID:	225356
PubChem CID:	85756508
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	313.095023
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	8.34
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC3=C(C=C2)N=NN(C3=O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations