Geometry & MOs

Info

ID:

185215

PubChem CID:

77271275

Reduced:

NO6C21H31 (2)

Stoich.:

AB6C21D31 (2)

Weight, g/mol:

848.445926

ΔHf, kcal/mol:

-557.78

Dipole, Da:

2.49

IP(EA), eV:

 -8.54(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-benzyl-5-propan-2-yl-3-[3,4,5-tris(2,2-dimethylpropanoyloxy)-6-(2,2-dimethylpropanoyloxymethyl)oxan-2-yl]oxypyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)C)OC2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)CC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations