Geometry & MOs

Info

ID:	284976
PubChem CID:	104087082
Reduced:	FSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	303.186815
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	1.7
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclopropylamino)-6-(1-hydroxypropan-2-ylsulfanyl)-2-methylhexanoate

Drug info:

PubChemData

Smile

CC(CO)SCC1=C(C=C(C=C1)C#CCO)F

DOS

IR

Vibrations