Geometry & MOs

Info

ID:	123395
PubChem CID:	50845674
Reduced:	ClNSO2F3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	431.253255
ΔH_f, kcal/mol:	-188.13
Dipole, Da:	4.34
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-(cyclopentylcarbamoylamino)phenyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(SC2=C1C=CC(=C2)Cl)C(=O)NCC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations