Geometry & MOs

Info

ID:

186387

PubChem CID:

77426135

Reduced:

O2N4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

807.337201

ΔHf, kcal/mol:

-51.59

Dipole, Da:

6.24

IP(EA), eV:

 -8.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy]-2-oxoethyl] 3-[[3-[[3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxan-2-yl]methylsulfanyl]-2-(2-methylbutan-2-ylamino)propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C3C(=CN(C3=CC(=C2)N)C(C)C)C)C

DOS

IR

Vibrations