Geometry & MOs

Info

ID:	123404
PubChem CID:	50845861
Reduced:	ClNSO2F3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-188.1
Dipole, Da:	4.49
IP(EA), eV:	-8.71(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-butyl-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(SC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations