Geometry & MOs

Info

ID:

80667

PubChem CID:

49835809

Reduced:

P2N6C17O17H24 (1)

Stoich.:

A2B6C17D17E24 (1)

Weight, g/mol:

501.193357

ΔHf, kcal/mol:

-742.01

Dipole, Da:

10.79

IP(EA), eV:

 -9.94(-2.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)CN=[N+]=[N-])O)O

DOS

IR

Vibrations