Geometry & MOs

Info

ID:	168976
PubChem CID:	75048031
Reduced:	FSO2N6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	11.49
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-(2-thiophen-3-ylbutan-2-yl)-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C#N)C2CCC3C(C2)C(NN3)NS(=O)(=O)CC4=CC=C(C=C4)F)C#N

DOS

IR

Vibrations