Geometry & MOs

Info

ID:	117527
PubChem CID:	50605998
Reduced:	Cl3O3N4H27C28 (1)
Stoich.:	A3B3C4D27E28 (1)
Weight, g/mol:	518.208469
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	4.24
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl)Cl

DOS

IR

Vibrations