Geometry & MOs

Info

ID:	407248
PubChem CID:	135079641
Reduced:	O2C23H24 (1)
Stoich.:	A2B23C24 (1)
Weight, g/mol:	517.98086
ΔH_f, kcal/mol:	-2.22
Dipole, Da:	2.03
IP(EA), eV:	-9.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-5-(4-diethoxyphosphorylbutyl)thiophene

Drug info:

PubChemData

Smile

CC(=O)OC(CCC1=CC=CC=C1)(C#C)C2=CC=CC=C2CCC=C

DOS

IR

Vibrations