Geometry & MOs

Info

ID:	110236
PubChem CID:	50316376
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	544.284969
ΔH_f, kcal/mol:	-162.9
Dipole, Da:	6.04
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations