Geometry & MOs

Info

ID:	234455
PubChem CID:	92298468
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	338.085577
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	3.72
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)COC2=CC=CC=C2OC)C

DOS

IR

Vibrations