Geometry & MOs

Info

ID:	305796
PubChem CID:	124969528
Reduced:	ON3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	562.150463
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	5.6
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC=C2)C[C@@H]3CC4(CCN(CC4)C(=O)C5CCCCC5)OC3

DOS

IR

Vibrations