Geometry & MOs

Info

ID:	315416
PubChem CID:	126626082
Reduced:	BrO2S4H5C6 (1)
Stoich.:	AB2C4D5E6 (1)
Weight, g/mol:	286.309647
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	3.58
IP(EA), eV:	-9.13(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-N-[2-methyl-1-(propan-2-ylamino)propan-2-yl]butane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)SSS)Br

DOS

IR

Vibrations