Geometry & MOs

Info

ID:	145245
PubChem CID:	53486497
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	277.171165
ΔH_f, kcal/mol:	-209.2
Dipole, Da:	4.09
IP(EA), eV:	-9.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(tert-butylsulfinylamino)-2,2,4,4-tetramethylpentanoic acid

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@H](CC2=C(O1)CC(CC2=O)(C)C)C(=O)OC

DOS

IR

Vibrations