Geometry & MOs

Info

ID:	268811
PubChem CID:	103601056
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	290.085577
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	6.44
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfonylethyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCCNCCS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations