Geometry & MOs

Info

ID:	261585
PubChem CID:	103241510
Reduced:	SN2O5C12H26 (1)
Stoich.:	AB2C5D12E26 (1)
Weight, g/mol:	316.120526
ΔH_f, kcal/mol:	-249.62
Dipole, Da:	3.12
IP(EA), eV:	-9.1(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCCNCC(CC(=O)OCC)O)S(=O)(=O)C

DOS

IR

Vibrations