Geometry & MOs

Info

ID:	120060
PubChem CID:	50712540
Reduced:	ClN4O5C28H35 (1)
Stoich.:	AB4C5D28E35 (1)
Weight, g/mol:	538.195853
ΔH_f, kcal/mol:	-186.5
Dipole, Da:	1.75
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations