Geometry & MOs

Info

ID:

16958

PubChem CID:

481070

Reduced:

SN5O7C36H57 (1)

Stoich.:

AB5C7D36E57 (1)

Weight, g/mol:

703.39787

ΔHf, kcal/mol:

-338.47

Dipole, Da:

4.01

IP(EA), eV:

 -9.26(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy]hexyl]-N-[5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCCCCOC[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