Geometry & MOs

Info

ID:	210318
PubChem CID:	80788256
Reduced:	SO2N5C10H19 (1)
Stoich.:	AB2C5D10E19 (1)
Weight, g/mol:	282.144038
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	6.64
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NCCS(=O)(=O)N)C

DOS

IR

Vibrations