Geometry & MOs

Info

ID:	231633
PubChem CID:	87574345
Reduced:	BrClO2N5C12H19 (1)
Stoich.:	ABC2D5E12F19 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	3.91
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylideneundecane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C(=NC(=N1)N)Cl)Br

DOS

IR

Vibrations