Geometry & MOs

Info

ID:	155814
PubChem CID:	56367657
Reduced:	S2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	394.11627
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	3.51
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC(=CC=C3)OCC4=CSC=N4

DOS

IR

Vibrations