Geometry & MOs

Info

ID:	195298
PubChem CID:	78670872
Reduced:	SN2F3O5C14H19 (1)
Stoich.:	AB2C3D5E14F19 (1)
Weight, g/mol:	390.199308
ΔH_f, kcal/mol:	-355.22
Dipole, Da:	6.66
IP(EA), eV:	-9.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)ethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)C)(C(F)(F)F)O

DOS

IR

Vibrations