Geometry & MOs

Info

ID:	391233
PubChem CID:	135003702
Reduced:	ClO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	287.1919
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	1.37
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-2-methyl-N-[(3R)-1-[(2-methylpropan-2-yl)oxy]hept-1-yn-3-yl]propane-2-sulfinamide

Drug info:

PubChemData

Smile

CCO/C(=C(/CC=C)\C1=CC(=CC=C1)OC)/Cl

DOS

IR

Vibrations