Geometry & MOs

Info

ID:

329094

PubChem CID:

126731245

Reduced:

F2N3O5H17C20 (1)

Stoich.:

A2B3C5D17E20 (1)

Weight, g/mol:

726.211366

ΔHf, kcal/mol:

-240.49

Dipole, Da:

6.95

IP(EA), eV:

 -9.45(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3S,5R)-4,4-difluoro-3-hydroxy-5-[2-oxo-4-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-1-yl]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC(=O)N(C=C3)[C@H]4C([C@H]([C@H](O4)CO)O)(F)F

DOS

IR

Vibrations