Geometry & MOs

Info

ID:	111553
PubChem CID:	50372252
Reduced:	F3N4O4C28H33 (1)
Stoich.:	A3B4C4D28E33 (1)
Weight, g/mol:	563.310769
ΔH_f, kcal/mol:	-301.07
Dipole, Da:	8.61
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations