Geometry & MOs

Info

ID:

327990

PubChem CID:

126691639

Reduced:

N3O4C35H41 (1)

Stoich.:

A3B4C35D41 (1)

Weight, g/mol:

572.21259

ΔHf, kcal/mol:

-81.48

Dipole, Da:

8.96

IP(EA), eV:

 -8.61(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-[3-[6-(azetidin-1-yl)-2-[[(4S)-5-(1,6-difluoro-1-methyl-2,3-dihydrophosphepin-1-ium-3-yl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C=O)OC)C6=CC=CC(=CC6)C

DOS

IR

Vibrations