Geometry & MOs

Info

ID:

329102

PubChem CID:

126731257

Reduced:

O16C19H34 (1)

Stoich.:

A16B19C34 (1)

Weight, g/mol:

766.185151

ΔHf, kcal/mol:

-722.71

Dipole, Da:

7.55

IP(EA), eV:

 -10.36(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R)-5-[4-[(9,10-dioxoanthracene-2-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O[C@@H]3[C@H](C([C@H](C(O3)CO)O)O)O)O)O)O

DOS

IR

Vibrations