Geometry & MOs

Info

ID:	402455
PubChem CID:	135056023
Reduced:	N2O3C8H15 (1)
Stoich.:	A2B3C8D15 (1)
Weight, g/mol:	348.097405
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767913
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dihydroxy-2-oxo-7-phenylmethoxyheptyl) dihydrogen phosphate

Drug info:

PubChemData

Smile

CCO/C(=C(/[C@H](C(C)C)O)\[N+]#N)/O

DOS

IR

Vibrations