Geometry & MOs

Info

ID:

180879

PubChem CID:

76698673

Reduced:

F6O7H18C30 (1)

Stoich.:

A6B7C18D30 (1)

Weight, g/mol:

541.160891

ΔHf, kcal/mol:

-506.39

Dipole, Da:

3.74

IP(EA), eV:

 -9.31(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-11-oxo-1,2,4,5-tetrahydro-[1,2,5]triazepino[1,2-a]indazole-7,9-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)O)O)OC(=O)C4=C(C=C(C=C4)C(F)(F)F)O

DOS

IR

Vibrations