Geometry & MOs

Info

ID:	119817
PubChem CID:	50703436
Reduced:	ClSO3N6C26H29 (1)
Stoich.:	ABC3D6E26F29 (1)
Weight, g/mol:	550.214697
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	7.38
IP(EA), eV:	-8.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations