Geometry & MOs

Info

ID:

17703

PubChem CID:

513526

Reduced:

N4O11C27H42 (1)

Stoich.:

A4B11C27D42 (1)

Weight, g/mol:

598.285008

ΔHf, kcal/mol:

-491.4

Dipole, Da:

3.09

IP(EA), eV:

 -10.06(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-decyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCNC(=O)C1=C[C@@H]([C@@H]([C@H](O1)O[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OC)C(=O)N)O)O

DOS

IR

Vibrations