Geometry & MOs

Info

ID:	120408
PubChem CID:	50725725
Reduced:	ClSO3N6C25H27 (1)
Stoich.:	ABC3D6E25F27 (1)
Weight, g/mol:	536.199047
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	9.01
IP(EA), eV:	-8.63(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations