Geometry & MOs

Info

ID:	385276
PubChem CID:	134978675
Reduced:	BCl2C4H7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	290.172311
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	2.19
IP(EA), eV:	-9.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-dibutoxyboranylethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

B(C/C=C\C)(Cl)Cl

DOS

IR

Vibrations