Geometry & MOs

Info

ID:

168421

PubChem CID:

74965675

Reduced:

PF3N5O13C30H39 (1)

Stoich.:

AB3C5D13E30F39 (1)

Weight, g/mol:

727.207758

ΔHf, kcal/mol:

-755.47

Dipole, Da:

6.54

IP(EA), eV:

 -9.15(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-amino-3-[4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-ethoxy-1-oxopropan-2-yl)amino]phosphoryl]oxyphenyl]propanoate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)O)O)OC3=CC4=C(C=C3)N(C=C4)C(=O)OC(C)(C)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations