Geometry & MOs

Info

ID:	243129
PubChem CID:	99215815
Reduced:	ClSF3N3O5C16H19 (1)
Stoich.:	ABC3D3E5F16G19 (1)
Weight, g/mol:	456.253669
ΔH_f, kcal/mol:	-353.62
Dipole, Da:	3.9
IP(EA), eV:	-9.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCNC(=O)OCC(F)(F)F)S(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations