Geometry & MOs

Info

ID:	431436
PubChem CID:	135171516
Reduced:	FSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	146.076536
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	1.51
IP(EA), eV:	-8.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-3-methylsulfanylbutanal

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)F)SNC2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations