Geometry & MOs

Info

ID:	92507
PubChem CID:	49987452
Reduced:	BrO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	528.230347
ΔH_f, kcal/mol:	-112.94
Dipole, Da:	7.57
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations