Geometry & MOs

Info

ID:	240983
PubChem CID:	93618804
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	216.077789
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	6.37
IP(EA), eV:	-8.79(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)CCO[C@H]2CCS(=O)(=O)C2

DOS

IR

Vibrations