Geometry & MOs

Info

ID:	249285
PubChem CID:	103088316
Reduced:	BrFNSO2Cl3H6C12 (1)
Stoich.:	ABCDE2F3G6H12 (1)
Weight, g/mol:	204.16602
ΔH_f, kcal/mol:	-95.19
Dipole, Da:	3.45
IP(EA), eV:	-9.36(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-dimethyl-2-N-(4-methylsulfanylbutyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)Br

DOS

IR

Vibrations