Geometry & MOs

Info

ID:	120049
PubChem CID:	50712439
Reduced:	Cl2O5N6C35H46 (1)
Stoich.:	A2B5C6D35E46 (1)
Weight, g/mol:	518.185146
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	10.04
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(3-chlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations