Geometry & MOs

Info

ID:	324268
PubChem CID:	126677274
Reduced:	PSO2N3C9H22 (1)
Stoich.:	ABC2D3E9F22 (1)
Weight, g/mol:	243.9138
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	2.64
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5R)-3-bromo-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)OP(=O)(N1CCN(CC1)S)N(C)C

DOS

IR

Vibrations