Geometry & MOs

Info

ID:	234419
PubChem CID:	92298398
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	338.085577
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	3.31
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)COC2=CC=CC=C2Cl)C

DOS

IR

Vibrations