Geometry & MOs

Info

ID:	91963
PubChem CID:	49980788
Reduced:	F3O3N4C28H33 (1)
Stoich.:	A3B3C4D28E33 (1)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-269.84
Dipole, Da:	2.71
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations