Geometry & MOs

Info

ID:	325669
PubChem CID:	126684412
Reduced:	NO3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	416.168031
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	5.25
IP(EA), eV:	-9.35(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxypropoxy]-1,1-difluoro-2-oxoethanesulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)OCN)OCCCCCC=O

DOS

IR

Vibrations