Geometry & MOs

Info

ID:	33048
PubChem CID:	7850465
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	340.105922
ΔH_f, kcal/mol:	-123.15
Dipole, Da:	6.76
IP(EA), eV:	-9.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC(=O)NC(C)(C)C

DOS

IR

Vibrations