Geometry & MOs

Info

ID:

180894

PubChem CID:

76700383

Reduced:

NO13C32H57 (1)

Stoich.:

AB13C32D57 (1)

Weight, g/mol:

536.263485

ΔHf, kcal/mol:

-668.57

Dipole, Da:

4.63

IP(EA), eV:

 -10.08(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]-5,11-dioxo-1,4-diazatricyclo[6.3.1.04,12]dodeca-8(12),9-diene-7-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC(OC1C(C(C)O)O)(CC(C)(CC2(CC(C(C(O2)C(C(C)O)O)NC(=O)C)O)C(=O)O)C(C(C)C)C(C)C)C(=O)O)O

DOS

IR

Vibrations