Geometry & MOs

Info

ID:	390840
PubChem CID:	135001201
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	442.86494
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	5.71
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CCC\1CN(C/C1=C\C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations