Geometry & MOs

Info

ID:	99943
PubChem CID:	50056489
Reduced:	BrFO3N4C29H30 (1)
Stoich.:	ABC3D4E29F30 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	8.94
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations