Geometry & MOs

Info

ID:

16364

PubChem CID:

465607

Reduced:

PN5O11C28H30 (1)

Stoich.:

AB5C11D28E30 (1)

Weight, g/mol:

643.167944

ΔHf, kcal/mol:

-404.56

Dipole, Da:

6.31

IP(EA), eV:

 -9.63(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(4-methoxycarbonylphenyl)methoxy]phosphoryl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC3=CC=C(C=C3)C(=O)OC)OCC4=CC=C(C=C4)C(=O)OC)N=[N+]=[N-]

DOS

IR

Vibrations