Geometry & MOs

Info

ID:	142689
PubChem CID:	53076588
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	456.099122
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	3.4
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-5-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3C4NN(C(=O)N4C=CN3N2)CC(=O)NC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations