Geometry & MOs

Info

ID:	224754
PubChem CID:	85349224
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-140.13
Dipole, Da:	5.5
IP(EA), eV:	-9.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tert-butylsulfinylamino)-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)CC(C)NC(=O)C

DOS

IR

Vibrations