Geometry & MOs

Info

ID:	79054
PubChem CID:	49746589
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	1.51
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations