Geometry & MOs

Info

ID:	171277
PubChem CID:	75352897
Reduced:	ClS2O4N6C20H26 (1)
Stoich.:	AB2C4D6E20F26 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.764835
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenoxy)methyl]-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C.[Cl-]

DOS

IR

Vibrations