Geometry & MOs

Info

ID:	246871
PubChem CID:	103065249
Reduced:	SO2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	288.00443
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	7.55
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-methyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])NC2CCSC2

DOS

IR

Vibrations