Geometry & MOs

Info

ID:	303373
PubChem CID:	124489592
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	465.088223
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	1.76
IP(EA), eV:	-9.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-(benzenesulfonyl)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CN1C(=O)C(=NC12CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations