Geometry & MOs

Info

ID:	219462
PubChem CID:	85148708
Reduced:	S4N5H13C25 (1)
Stoich.:	A4B5C13D25 (1)
Weight, g/mol:	511.348171
ΔH_f, kcal/mol:	282.41
Dipole, Da:	6.83
IP(EA), eV:	-9.21(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-hydroxy-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-2-yl]-4-(2-phenylethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC(=NC(=S)C2C#N)C3=CC(=CN=C3)C4=NC(=S)C(C(=C4)C5=CC=CS5)C#N

DOS

IR

Vibrations