Geometry & MOs

Info

ID:	165959
PubChem CID:	74619572
Reduced:	O4N5C14H17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	443.092892
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	3.58
IP(EA), eV:	-9.81(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-cyano-2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2C=CC(=O)N=N2)C(=O)NC(C)(C)C(=O)OC

DOS

IR

Vibrations