Geometry & MOs

Info

ID:

309690

PubChem CID:

126554663

Reduced:

Cl2O2N8H22C27 (1)

Stoich.:

A2B2C8D22E27 (1)

Weight, g/mol:

524.179792

ΔHf, kcal/mol:

85.09

Dipole, Da:

5.2

IP(EA), eV:

 -9.7(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,4S,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=NC=CN=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations