Geometry & MOs

Info

ID:	94803
PubChem CID:	50003992
Reduced:	F3O3N4C28H35 (1)
Stoich.:	A3B3C4D28E35 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-280.92
Dipole, Da:	7.34
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations