Geometry & MOs

Info

ID:	210669
PubChem CID:	80837572
Reduced:	SO4N5C11H19 (1)
Stoich.:	AB4C5D11E19 (1)
Weight, g/mol:	314.177647
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	3.99
IP(EA), eV:	-9.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NCC(C)(C)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations