Geometry & MOs

Info

ID:	155457
PubChem CID:	56365574
Reduced:	ClSO2F3N3H13C18 (1)
Stoich.:	ABC2D3E3F13G18 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-132.88
Dipole, Da:	1.41
IP(EA), eV:	-9.47(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)-N-propylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SC(F)F)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations