Geometry & MOs

Info

ID:	236756
PubChem CID:	92714630
Reduced:	SO2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	58.0
Dipole, Da:	5.12
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)C[S@](=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

DOS

IR

Vibrations