Geometry & MOs

Info

ID:	151475
PubChem CID:	53812473
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	366.985211
ΔH_f, kcal/mol:	77.14
Dipole, Da:	1.97
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-7-[2-(2-methyl-1,3-thiazol-5-yl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(C2=CN=C(N=C2C1)N3CCN(CC3)CC4=CC=CC=C4)N=O

DOS

IR

Vibrations