Geometry & MOs

Info

ID:	312294
PubChem CID:	126604155
Reduced:	PN2S2O3C10H22 (1)
Stoich.:	AB2C2D3E10F22 (1)
Weight, g/mol:	104.058578
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	4.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.327940
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-1,2-oxazolidin-3-ol

Drug info:

PubChemData

Smile

CCOP(=O)(CC1C[N+](=CN1SC)SC)OCC

DOS

IR

Vibrations