Geometry & MOs

Info

ID:	155525
PubChem CID:	56365861
Reduced:	ClSN2O2C24H29 (1)
Stoich.:	ABC2D2E24F29 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	6.69
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-fluoro-4-methyl-5-nitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C(C)SC3=CC=CC=C3Cl

DOS

IR

Vibrations