Geometry & MOs

Info

ID:	115632
PubChem CID:	50529346
Reduced:	ClN4O4C27H35 (1)
Stoich.:	AB4C4D27E35 (1)
Weight, g/mol:	512.255419
ΔH_f, kcal/mol:	-163.46
Dipole, Da:	3.13
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations