Geometry & MOs

Info

ID:

127417

PubChem CID:

51001527

Reduced:

S4O5N10C28H34 (1)

Stoich.:

A4B5C10D28E34 (1)

Weight, g/mol:

454.136964

ΔHf, kcal/mol:

-72.7

Dipole, Da:

9.0

IP(EA), eV:

 -8.88(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R)-2-amino-3-methylpentanoate;sulfuric acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CS2)C3=NC(=CS3)CNC4=CC(=CC=C4)S(=O)(=O)NC5=C(SC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations