Geometry & MOs

Info

ID:

150754

PubChem CID:

53790450

Reduced:

FN3O6C31H32 (1)

Stoich.:

AB3C6D31E32 (1)

Weight, g/mol:

542.017823

ΔHf, kcal/mol:

-227.05

Dipole, Da:

4.94

IP(EA), eV:

 -8.77(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-5-methyl-N-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2C[C@@H](C([C@@H]2C3=CC=C(C=C3)C(=O)N)C(=O)O)C4=CC5=C(C=C4)OCO5)CC)F

DOS

IR

Vibrations