Geometry & MOs

Info

ID:	289739
PubChem CID:	104371821
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	325.065176
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	2.87
IP(EA), eV:	-9.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(CC1N2C(=O)C(=C(NC2=O)Cl)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations