Geometry & MOs

Info

ID:	32626
PubChem CID:	7846996
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	4.16
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations