Geometry & MOs

Info

ID:	141678
PubChem CID:	52913998
Reduced:	S2N3O3H13C15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	5.21
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)N2C=CC(=C2)NC(=O)C3=NC=CS3

DOS

IR

Vibrations