Geometry & MOs

Info

ID:	106611
PubChem CID:	50170977
Reduced:	Cl2O3N4C29H36 (1)
Stoich.:	A2B3C4D29E36 (1)
Weight, g/mol:	596.2362
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	5.78
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations