Geometry & MOs

Info

ID:	64564
PubChem CID:	29202892
Reduced:	FSN2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	493.184684
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	5.25
IP(EA), eV:	-8.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations