Geometry & MOs

Info

ID:	309266
PubChem CID:	126541427
Reduced:	SO3N6C20H20 (1)
Stoich.:	AB3C6D20E20 (1)
Weight, g/mol:	546.227632
ΔH_f, kcal/mol:	33.26
Dipole, Da:	4.6
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(4-fluorocyclohexyl)-N-(3-methylphenyl)piperidine-4-sulfinamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)CCN4C=NC=N4

DOS

IR

Vibrations