Geometry & MOs

Info

ID:	32647
PubChem CID:	7847029
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	4.91
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations