Geometry & MOs

Info

ID:	210680
PubChem CID:	80839950
Reduced:	SO3N5C10H17 (1)
Stoich.:	AB3C5D10E17 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	8.63
IP(EA), eV:	-9.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopentyl-6-N-methyl-4-N-(2-methylpropyl)-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)OC)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations