Geometry & MOs

Info

ID:	219797
PubChem CID:	85164906
Reduced:	BrO4C34H47 (1)
Stoich.:	AB4C34D47 (1)
Weight, g/mol:	599.251917
ΔH_f, kcal/mol:	-209.79
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,6-bis(benzoyloxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C7=CC=C(C=C7)Br)C)C)C)OC1

DOS

IR

Vibrations