Geometry & MOs

Info

ID:

12223

PubChem CID:

132900

Reduced:

SN4O11C29H42 (1)

Stoich.:

AB4C11D29E42 (1)

Weight, g/mol:

654.257079

ΔHf, kcal/mol:

-477.27

Dipole, Da:

5.1

IP(EA), eV:

 -9.45(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(decanoylamino)-3-phenylpropyl] N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)COC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

DOS

IR

Vibrations