Geometry & MOs

Info

ID:	203596
PubChem CID:	79850089
Reduced:	ClSO2N5C11H16 (1)
Stoich.:	ABC2D5E11F16 (1)
Weight, g/mol:	362.06636
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	5.52
IP(EA), eV:	-9.22(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-1-N-methyl-1-N-(2-methylsulfonylethyl)butane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC(=N2)CN(C)CCS(=O)(=O)C)Cl

DOS

IR

Vibrations