Geometry & MOs

Info

ID:	283302
PubChem CID:	103972686
Reduced:	FO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	376.03439
ΔH_f, kcal/mol:	-231.94
Dipole, Da:	1.34
IP(EA), eV:	-9.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(3-bromothiophen-2-yl)methyl]-2-propylpropanedioate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC1=CC=CC=C1F)C(=O)OC(C)C

DOS

IR

Vibrations