Geometry & MOs

Info

ID:

16959

PubChem CID:

481071

Reduced:

SN5O9C37H57 (1)

Stoich.:

AB5C9D37E57 (1)

Weight, g/mol:

747.3877

ΔHf, kcal/mol:

-411.65

Dipole, Da:

2.9

IP(EA), eV:

 -9.25(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-[5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCCCCOC(=O)OC[C@H]1O[C@H](CS1)N2C=CC(=NC2=O)N)CCCCCN(CC3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations