Geometry & MOs

Info

ID:

323982

PubChem CID:

126676713

Reduced:

ClPN3O9C22H29 (1)

Stoich.:

ABC3D9E22F29 (1)

Weight, g/mol:

533.113008

ΔHf, kcal/mol:

-440.72

Dipole, Da:

9.93

IP(EA), eV:

 -9.85(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2S,4S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations