Geometry & MOs

Info

ID:	204919
PubChem CID:	80032106
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	7.02
IP(EA), eV:	-9.05(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethyl-3-sulfanylpropyl)-1-methyl-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(CN1C(=O)C(=CN(C1=O)CC)[N+](=O)[O-])CS

DOS

IR

Vibrations