Geometry & MOs

Info

ID:	79035
PubChem CID:	49746488
Reduced:	SO2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	81.3
Dipole, Da:	1.97
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CN2C=CC=N2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations