Geometry & MOs

Info

ID:	403159
PubChem CID:	135059015
Reduced:	NPO9C14H18 (1)
Stoich.:	ABC9D14E18 (1)
Weight, g/mol:	377.087568
ΔH_f, kcal/mol:	-327.49
Dipole, Da:	3.31
IP(EA), eV:	-9.73(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S,4R)-3,4-dihydroxy-5-oxo-6-phosphonooxyhexyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCC[C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O

DOS

IR

Vibrations