Geometry & MOs

Info

ID:	434749
PubChem CID:	135175628
Reduced:	BrSF2N3O4C30H34 (1)
Stoich.:	ABC2D3E4F30G34 (1)
Weight, g/mol:	189.136493
ΔH_f, kcal/mol:	-216.09
Dipole, Da:	3.79
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations