Geometry & MOs

Info

ID:	82089
PubChem CID:	49855584
Reduced:	BN2O5C32H43 (1)
Stoich.:	AB2C5D32E43 (1)
Weight, g/mol:	672.199547
ΔH_f, kcal/mol:	-263.26
Dipole, Da:	8.62
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-phenoxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)CC(C4=CC(=CC=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations