Geometry & MOs

Info

ID:	406258
PubChem CID:	135077008
Reduced:	BrS2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	2.25
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(2-nitrophenyl)-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC2=C(S1)C(=CS2)Br

DOS

IR

Vibrations