Geometry & MOs

Info

ID:	144404
PubChem CID:	53364013
Reduced:	SO12H22C25 (1)
Stoich.:	AB12C22D25 (1)
Weight, g/mol:	311.95847
ΔH_f, kcal/mol:	-407.96
Dipole, Da:	3.76
IP(EA), eV:	-8.82(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2-diethoxyphosphorylthiophene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=CC=C5O4)O)O)COS(=O)(=O)O)O

DOS

IR

Vibrations