Geometry & MOs

Info

ID:	105185
PubChem CID:	50106580
Reduced:	FSO3N4C30H33 (1)
Stoich.:	ABC3D4E30F33 (1)
Weight, g/mol:	580.14853
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	8.65
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations