Geometry & MOs

Info

ID:	227807
PubChem CID:	87562542
Reduced:	N2O4F6H18C21 (1)
Stoich.:	A2B4C6D18E21 (1)
Weight, g/mol:	475.21726
ΔH_f, kcal/mol:	-367.45
Dipole, Da:	6.73
IP(EA), eV:	-10.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[1-(1-phenylethyl)piperidin-4-yl]piperazin-1-yl]phenyl]-1-sulfanylurea;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC(=C(C(=C1)OCC(F)(F)F)C(F)(F)F)C2=CC3=NON=C3C=C2)C(=O)O

DOS

IR

Vibrations