Geometry & MOs

Info

ID:	114447
PubChem CID:	50483184
Reduced:	F3O3N4H27C28 (1)
Stoich.:	A3B3C4D27E28 (1)
Weight, g/mol:	580.14853
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	6.31
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations