Geometry & MOs

Info

ID:	107678
PubChem CID:	50214649
Reduced:	Cl2O3N4C26H32 (1)
Stoich.:	A2B3C4D26E32 (1)
Weight, g/mol:	556.2049
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	4.49
IP(EA), eV:	-9.17(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations