Geometry & MOs

Info

ID:	102290
PubChem CID:	50066026
Reduced:	BrFO4N5C33H37 (1)
Stoich.:	ABC4D5E33F37 (1)
Weight, g/mol:	524.203525
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	10.86
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-1-[2-[5-[(3-fluorophenyl)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)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations