Geometry & MOs

Info

ID:	115761
PubChem CID:	50533226
Reduced:	ClN5O5C27H32 (1)
Stoich.:	AB5C5D27E32 (1)
Weight, g/mol:	561.214282
ΔH_f, kcal/mol:	-182.23
Dipole, Da:	5.3
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[4-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations