Geometry & MOs

Info

ID:	393588
PubChem CID:	135021149
Reduced:	BrNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	462.137341
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	4.82
IP(EA), eV:	-10.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-acetyloxy-2-[(3S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCBr)C1[C@H]2C[C@H](C2(C)C)C(=O)C1C#N

DOS

IR

Vibrations