Geometry & MOs

Info

ID:	309591
PubChem CID:	126549852
Reduced:	SO5F6H10C13 (1)
Stoich.:	AB5C6D10E13 (1)
Weight, g/mol:	447.124192
ΔH_f, kcal/mol:	-479.57
Dipole, Da:	3.76
IP(EA), eV:	-10.37(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-3-[(5-methylpyridin-3-yl)methyl]-4-oxoazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)C(=O)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations