Geometry & MOs

Info

ID:	272011
PubChem CID:	103716665
Reduced:	BrSN2O2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	280.19732
ΔH_f, kcal/mol:	-11.35
Dipole, Da:	3.04
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butan-2-yl-N'-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations