Geometry & MOs

Info

ID:

297872

PubChem CID:

117635686

Reduced:

P3N9O15C30H43 (1)

Stoich.:

A3B9C15D30E43 (1)

Weight, g/mol:

213.172879

ΔHf, kcal/mol:

-514.33

Dipole, Da:

17.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.804292

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,6R)-2,6-dimethyl-4-piperidin-1-yloxan-3-ol

Drug info:

PubChemData

Smile

C1=CN(C(=O)N(C1=O)C(=O)CCC(CCC(=O)NCCCCCC(=O)NN[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CC(=O)O)N)N=[N+]=[N-])[C@H]2[C@H](C([C@H](O2)COP=P#P)O)O

DOS

IR

Vibrations