Geometry & MOs

Info

ID:	125945
PubChem CID:	50944940
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	401.117605
ΔH_f, kcal/mol:	-201.82
Dipole, Da:	6.37
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC)OC

DOS

IR

Vibrations