Geometry & MOs

Info

ID:	189563
PubChem CID:	77873985
Reduced:	S2N3O8H17C20 (1)
Stoich.:	A2B3C8D17E20 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-139.65
Dipole, Da:	4.27
IP(EA), eV:	-9.17(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-4-ethylpyrazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

DOS

IR

Vibrations