Geometry & MOs

Info

ID:	67731
PubChem CID:	46507053
Reduced:	N2S2O3H26C27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	1.74
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-butylphenyl)sulfonylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(SC=C2C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations