Geometry & MOs

Info

ID:	402611
PubChem CID:	135056562
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	249.17625
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	2.65
IP(EA), eV:	-8.96(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(3S,4R)-4-hydroxy-2,5-dimethylhexan-3-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C#C[C@H](C1=CC=C(C=C1)OC)O)O

DOS

IR

Vibrations