Geometry & MOs

Info

ID:	391258
PubChem CID:	135003936
Reduced:	ClOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	313.117021
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	1.76
IP(EA), eV:	-9.15(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-2-methyl-N-[(1S)-3-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylprop-2-ynyl]propane-2-sulfinamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations