Geometry & MOs

Info

ID:	210317
PubChem CID:	80788149
Reduced:	BrON5C9H14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	273.125946
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	5.1
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC1=NC(=NC=C1Br)NC

DOS

IR

Vibrations