Geometry & MOs

Info

ID:	61119
PubChem CID:	26705830
Reduced:	ClS2N4O4C20H21 (1)
Stoich.:	AB2C4D4E20F21 (1)
Weight, g/mol:	430.032097
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	4.18
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4)Cl

DOS

IR

Vibrations