Geometry & MOs

Info

ID:	388413
PubChem CID:	134989085
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	338.829
ΔH_f, kcal/mol:	-68.01
Dipole, Da:	5.78
IP(EA), eV:	-10.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-1-bromo-1,2,4-trichloro-4-ethylsulfanyl-3-nitrobuta-1,3-diene

Drug info:

PubChemData

Smile

CC1=CC(=O)OC12[C@H]3[C@@H]2CCCCCC3

DOS

IR

Vibrations