Geometry & MOs

Info

ID:

17671

PubChem CID:

511221

Reduced:

PN3O8C19H22 (1)

Stoich.:

AB3C8D19E22 (1)

Weight, g/mol:

451.114452

ΔHf, kcal/mol:

-357.58

Dipole, Da:

4.91

IP(EA), eV:

 -9.65(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations