Geometry & MOs

Info

ID:	404744
PubChem CID:	135070384
Reduced:	N5O16C24H41 (1)
Stoich.:	A5B16C24D41 (1)
Weight, g/mol:	316.055934
ΔH_f, kcal/mol:	-662.43
Dipole, Da:	3.9
IP(EA), eV:	-10.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxononyl] phosphate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O)CO)OC2[C@H](C(O[C@H](C2O)O[C@@H]3C(O[C@H](C(C3O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O

DOS

IR

Vibrations