Geometry & MOs

Info

ID:	302781
PubChem CID:	124395263
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	30.5
Dipole, Da:	3.49
IP(EA), eV:	-8.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

DOS

IR

Vibrations