Geometry & MOs

Info

ID:	194348
PubChem CID:	78521032
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	411.10665
ΔH_f, kcal/mol:	-159.33
Dipole, Da:	2.95
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C=C1N(C(=O)CS1)CC(=O)NC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations