Geometry & MOs

Info

ID:	114924
PubChem CID:	50501990
Reduced:	ClFO4N5C29H35 (1)
Stoich.:	ABC4D5E29F35 (1)
Weight, g/mol:	519.14401
ΔH_f, kcal/mol:	-208.66
Dipole, Da:	5.34
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]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)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations