Geometry & MOs

Info

ID:	37250
PubChem CID:	8018749
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	8.59
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations