Geometry & MOs

Info

ID:	342304
PubChem CID:	127265081
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	3.45
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enylsulfinyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC1OC2=CN=CC=C2)S(=O)(=O)CCCC#N

DOS

IR

Vibrations