Geometry & MOs

Info

ID:	152694
PubChem CID:	56311725
Reduced:	ClFNSO3C17H17 (1)
Stoich.:	ABCDE3F17G17 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	7.12
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[2-oxo-2-[4-(thiophene-2-carbonylamino)anilino]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations