Geometry & MOs

Info

ID:

313826

PubChem CID:

126618135

Reduced:

BrClPN3O10C23H30 (1)

Stoich.:

ABCD3E10F23G30 (1)

Weight, g/mol:

639.03842

ΔHf, kcal/mol:

-474.95

Dipole, Da:

8.86

IP(EA), eV:

 -9.52(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methoxy-2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations