Geometry & MOs

Info

ID:	38585
PubChem CID:	8137141
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	2.36
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)OCC(=O)OCC(=O)N(C)[C@@H](C)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations