Geometry & MOs

Info

ID:	249384
PubChem CID:	103089096
Reduced:	FSCl2N2O2C13H15 (1)
Stoich.:	ABC2D2E2F13G15 (1)
Weight, g/mol:	273.223869
ΔH_f, kcal/mol:	-118.52
Dipole, Da:	2.09
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1C2CNCC2CN1S(=O)(=O)C3=C(C(=C(C=C3)Cl)F)Cl

DOS

IR

Vibrations