Geometry & MOs

Info

ID:	210538
PubChem CID:	80819283
Reduced:	O2S2N5C12H23 (1)
Stoich.:	A2B2C5D12E23 (1)
Weight, g/mol:	315.172896
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	6.75
IP(EA), eV:	-8.65(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)NCC(C)(C)NS(=O)(=O)C

DOS

IR

Vibrations