Geometry & MOs

Info

ID:	143224
PubChem CID:	53167336
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	405.183461
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	6.8
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclohexylpiperazine-1-carbonyl)-6-propyl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C1=O)C(=C(O2)C)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations