Geometry & MOs

Info

ID:	110239
PubChem CID:	50316464
Reduced:	BrFO3N4C30H32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	544.248584
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	6.74
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations