Geometry & MOs

Info

ID:	181871
PubChem CID:	76807324
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	287.036462
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	3.76
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(7-oxo-7aH-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)NCC2=CC(=CC=C2)C3=CC=C(O3)C(=O)NC(C4CCCCC4)C(=O)NC

DOS

IR

Vibrations