Geometry & MOs

Info

ID:	105117
PubChem CID:	50106405
Reduced:	FSO4N6C28H31 (1)
Stoich.:	ABC4D6E28F31 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-137.78
Dipole, Da:	11.19
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NC=CS4

DOS

IR

Vibrations