Geometry & MOs

Info

ID:	187714
PubChem CID:	77612957
Reduced:	NO3C24H39 (1)
Stoich.:	AB3C24D39 (1)
Weight, g/mol:	326.057257
ΔH_f, kcal/mol:	-184.5
Dipole, Da:	2.0
IP(EA), eV:	-9.41(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)pyrazolidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(CN)C(=O)OC1CCC2(C3CCC4(CCCC4C3C(=C)CC2(C1)O)C)C

DOS

IR

Vibrations