Geometry & MOs

Info

ID:	165951
PubChem CID:	74618597
Reduced:	SN3O4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	464.02191
ΔH_f, kcal/mol:	2.53
Dipole, Da:	5.05
IP(EA), eV:	-9.52(-3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=NC(=O)C(=O)N=C4C=C3

DOS

IR

Vibrations