Geometry & MOs

Info

ID:	32585
PubChem CID:	7846927
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-80.2
Dipole, Da:	2.88
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations