Geometry & MOs

Info

ID:	43468
PubChem CID:	10321342
Reduced:	FSN2O5C22H23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	446.184172
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	3.94
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,3-diethyl-1-(naphthalen-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)F)COC3CCCC(C3)OC/C=C\4/C(=O)NC(=O)S4

DOS

IR

Vibrations