Geometry & MOs

Info

ID:	405876
PubChem CID:	135075794
Reduced:	BrNSO2C10H18 (1)
Stoich.:	ABCD2E10F18 (1)
Weight, g/mol:	230.019154
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	3.04
IP(EA), eV:	-9.61(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C=C(CCN1S(=O)(=O)C)Br

DOS

IR

Vibrations