Geometry & MOs

Info

ID:	224037
PubChem CID:	85337367
Reduced:	Cl2O2N5H23C25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	8.56
Dipole, Da:	8.98
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-ethoxyimino-3-phenylpropyl)piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CCN(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(N=C4)Cl)Cl)O

DOS

IR

Vibrations