Geometry & MOs

Info

ID:	436404
PubChem CID:	135199989
Reduced:	SN2O2H18C24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	288.110791
ΔH_f, kcal/mol:	45.43
Dipole, Da:	7.53
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)-2-(4-methylsulfanylpiperazin-1-yl)ethanol

Drug info:

PubChemData

Smile

C1C(C1C(=O)NC2=CC3=C(C=C2)C=NC=C3)C4=CC=C(C=C4)C(=O)C5=CC=CS5

DOS

IR

Vibrations