Geometry & MOs

Info

ID:	16580
PubChem CID:	473175
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	2.82
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-hydroxyphenyl)-5-methyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C(S1)C2=CC(=CC=C2)O)C3=CC(=C(C=C3C)O)C(C)C

DOS

IR

Vibrations