Geometry & MOs

Info

ID:	268812
PubChem CID:	103601058
Reduced:	ClSN2O2C12H19 (1)
Stoich.:	ABC2D2E12F19 (1)
Weight, g/mol:	361.07111
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	4.52
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)sulfonylethyl]-5-methylhexan-2-amine

Drug info:

PubChemData

Smile

CN(C)CCNCCS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations