Geometry & MOs

Info

ID:	48424
PubChem CID:	10547649
Reduced:	BrNO2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	378.20738
ΔH_f, kcal/mol:	-49.12
Dipole, Da:	1.16
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3-trimethoxy-5-oxopentyl] acetate

Drug info:

PubChemData

Smile

C1CCN(C2(C1)CCCC=C2)CCC3=CC4=C(C=C3Br)OCO4

DOS

IR

Vibrations