Geometry & MOs

Info

ID:	309810
PubChem CID:	126560119
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	231.067762
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	5.93
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-hydroxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=C(C3=C(N2)CC(CC3=O)(C)COSC)NC4=CC=CC=C4

DOS

IR

Vibrations