Geometry & MOs

Info

ID:	222016
PubChem CID:	85293400
Reduced:	O3C8H10 (3)
Stoich.:	A3B8C10 (3)
Weight, g/mol:	463.220617
ΔH_f, kcal/mol:	-395.59
Dipole, Da:	9.78
IP(EA), eV:	-9.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-benzyl-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CC1=C(C2=C(C(=C1O)OC(=O)C)C3(CC(CC(C3=C(C2=O)O)(C)C)OC(=O)C)C)O)O

DOS

IR

Vibrations