Geometry & MOs

Info

ID:	408259
PubChem CID:	135081022
Reduced:	BrOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	249.01295
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	2.22
IP(EA), eV:	-9.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-dithian-2-ylidene)-2-nitroacetate

Drug info:

PubChemData

Smile

C[C@H](/C=C(\C)/C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations