Geometry & MOs

Info

ID:

84529

PubChem CID:

49867302

Reduced:

N4O16C35H44 (1)

Stoich.:

A4B16C35D44 (1)

Weight, g/mol:

336.072253

ΔHf, kcal/mol:

-688.76

Dipole, Da:

4.14

IP(EA), eV:

 -9.28(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCC2=COC(=C2)CNC=O

DOS

IR

Vibrations