Geometry & MOs

Info

ID:	194752
PubChem CID:	78585708
Reduced:	NSCl2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	373.99022
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	6.44
IP(EA), eV:	-9.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations