Geometry & MOs

Info

ID:	32457
PubChem CID:	7836415
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-122.61
Dipole, Da:	4.65
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations