Geometry & MOs

Info

ID:	142727
PubChem CID:	53082340
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	4.07
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations