Geometry & MOs

Info

ID:	46539
PubChem CID:	10525084
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	401.039165
ΔH_f, kcal/mol:	-223.71
Dipole, Da:	3.21
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-5-[3-(4-methoxyphenyl)prop-2-ynyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)OC)[C@H](C2=CC(=CC=C2)OC)C(=O)OC

DOS

IR

Vibrations