Geometry & MOs

Info

ID:

329100

PubChem CID:

126731254

Reduced:

PF2N3O7C20H30 (1)

Stoich.:

AB2C3D7E20F30 (1)

Weight, g/mol:

680.169501

ΔHf, kcal/mol:

-472.24

Dipole, Da:

8.32

IP(EA), eV:

 -9.86(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,5R)-5-[4-(1,3-benzodioxole-5-carbonylamino)-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C3[C@H](O2)COP(=O)(O3)OC(C)C)(F)F

DOS

IR

Vibrations