Geometry & MOs

Info

ID:	236790
PubChem CID:	92714687
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	59.49
Dipole, Da:	7.33
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(2-piperidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@@](=O)CC(=O)NCCC3=CN=CN3)N4C=CC=C4

DOS

IR

Vibrations