Geometry & MOs

Info

ID:	26239
PubChem CID:	641923
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	2.26
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(SC2=NC(=C(CN12)C(=O)C)C)(C)C

DOS

IR

Vibrations