Geometry & MOs

Info

ID:	224400
PubChem CID:	85342490
Reduced:	BrO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	408.0896
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	1.91
IP(EA), eV:	-8.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(bromomethyl)-2-oxooxolan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CC1C(OC2=C(O1)C(=CC(=C2)CBr)OC)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations