Geometry & MOs

Info

ID:	26352
PubChem CID:	645314
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	406.136257
ΔH_f, kcal/mol:	8.72
Dipole, Da:	3.46
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2O1)SC)C

DOS

IR

Vibrations