Geometry & MOs

Info

ID:	195823
PubChem CID:	78736286
Reduced:	FN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	350.044681
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	5.7
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations