Geometry & MOs

Info

ID:	7073
PubChem CID:	71163
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	292.043712
ΔH_f, kcal/mol:	2.94
Dipole, Da:	3.42
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methyl]-7-methylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C=C1C(C(=O)N2CCSC2=N1)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations