Geometry & MOs

Info

ID:	54361
PubChem CID:	17118784
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	271.041548
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	2.91
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hydroxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

DOS

IR

Vibrations