Geometry & MOs

Info

ID:	395939
PubChem CID:	135026995
Reduced:	BrO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	492.25433
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	3.7
IP(EA), eV:	-9.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S,4R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-methoxy-3-oxopropyl)-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2C=CC=C3[C@@H]2[C@@](O1)(C=CC3=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations