Geometry & MOs

Info

ID:	104238
PubChem CID:	50100105
Reduced:	Cl2O3N4C26H32 (1)
Stoich.:	A2B3C4D26E32 (1)
Weight, g/mol:	542.18925
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	6.51
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations