Geometry & MOs

Info

ID:

441456

PubChem CID:

135234922

Reduced:

N5O25C40H67 (1)

Stoich.:

A5B25C40D67 (1)

Weight, g/mol:

509.13633

ΔHf, kcal/mol:

-1143.64

Dipole, Da:

6.47

IP(EA), eV:

 -8.96(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S)-2-[(1R)-1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-2-fluoro-3-hydroxybutyl] diphenyl phosphate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OC(CCO)/C=C(\C(O)OC(CCO)/C(=C(\C(O)OC(CCO)/C(=C(/C(O)OC(CCO)/C(=C(\C(O)O)/NC(=O)C)/O)\NC(=O)C)/O)/NC(=O)C)/O)/NC(=O)C)CO)O)O

DOS

IR

Vibrations