Geometry & MOs

Info

ID:	391420
PubChem CID:	135004956
Reduced:	O3C20H20 (1)
Stoich.:	A3B20C20 (1)
Weight, g/mol:	247.93291
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	5.69
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-bromo-2-ethylsulfanylethenyl]thiophene

Drug info:

PubChemData

Smile

CC1C=C(C2=C(C(=O)OC12C3=CCCC3)C4=CC=CC=C4)OC

DOS

IR

Vibrations