Geometry & MOs

Info

ID:

323211

PubChem CID:

126673676

Reduced:

F3N5O5H32C33 (1)

Stoich.:

A3B5C5D32E33 (1)

Weight, g/mol:

593.165105

ΔHf, kcal/mol:

-253.63

Dipole, Da:

7.74

IP(EA), eV:

 -9.09(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7R)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C3CCC(C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O.C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations