Geometry & MOs

Info

ID:	236769
PubChem CID:	92714647
Reduced:	SO2N4C28H30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	486.208947
ΔH_f, kcal/mol:	44.68
Dipole, Da:	4.95
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperidin-1-yl)-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[S@@](=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

DOS

IR

Vibrations