Geometry & MOs

Info

ID:	210293
PubChem CID:	80785664
Reduced:	ClSO2N5C9H14 (1)
Stoich.:	ABC2D5E9F14 (1)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	6.8
IP(EA), eV:	-9.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations