Geometry & MOs

Info

ID:	68923
PubChem CID:	46512125
Reduced:	S2N3O5H17C21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	470.046998
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	2.33
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloroanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations