Geometry & MOs

Info

ID:	410281
PubChem CID:	135083072
Reduced:	BO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	356.164248
ΔH_f, kcal/mol:	-236.13
Dipole, Da:	4.51
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl (4R,5R)-2-[(E)-5-methoxy-5-oxopent-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C=C(\C)/COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations