Geometry & MOs

Info

ID:	32648
PubChem CID:	7847032
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-141.02
Dipole, Da:	2.41
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations