Geometry & MOs

Info

ID:

168420

PubChem CID:

74965674

Reduced:

PCl3F3N4O11C19H27 (1)

Stoich.:

AB3C3D4E11F19G27 (1)

Weight, g/mol:

765.223408

ΔHf, kcal/mol:

-706.57

Dipole, Da:

6.44

IP(EA), eV:

 -9.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-ethoxy-1-oxopropan-2-yl)amino]phosphoryl]oxyindole-1-carboxylate;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)OCC(Cl)(Cl)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations