Geometry & MOs

Info

ID:	403490
PubChem CID:	135060509
Reduced:	BrSN2O2H15C19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	4.1
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-2-methyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C4=C2N=C(C=C4)Br

DOS

IR

Vibrations