Geometry & MOs

Info

ID:

224164

PubChem CID:

85339019

Reduced:

FO8N10C42H69 (1)

Stoich.:

AB8C10D42E69 (1)

Weight, g/mol:

862.268476

ΔHf, kcal/mol:

-449.79

Dipole, Da:

5.08

IP(EA), eV:

 -9.47(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C(CO)N

DOS

IR

Vibrations