Geometry & MOs

Info

ID:	425903
PubChem CID:	135130028
Reduced:	SN2O3C49H58 (1)
Stoich.:	AB2C3D49E58 (1)
Weight, g/mol:	553.99873
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	1.35
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-iodothiophen-3-yl)ethyl tridec-8-ynyl carbonate

Drug info:

PubChemData

Smile

CCCCC(C)(C)OC(=O)OCCCC1(C2=C(C=CC(=C2)C\3=CC=C(C(/C3=N\S)N)C(C)(C)C4=CC=CC=C4)C5=C1C=C(C=C5)C(C)(C)C6=CC=CC=C6)C

DOS

IR

Vibrations