Geometry & MOs

Info

ID:	423891
PubChem CID:	135120648
Reduced:	SN2F3O4C15H19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	428.32636
ΔH_f, kcal/mol:	-289.36
Dipole, Da:	7.27
IP(EA), eV:	-9.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations