Geometry & MOs

Info

ID:

214870

PubChem CID:

85083774

Reduced:

SO4N11C29H31 (1)

Stoich.:

AB4C11D29E31 (1)

Weight, g/mol:

629.23834

ΔHf, kcal/mol:

151.11

Dipole, Da:

5.14

IP(EA), eV:

 -9.54(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-bromo-3-(2-methoxy-2-oxoethylidene)-5-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-4-methyl-1-tri(propan-2-yl)silyloxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(C2=CC(=CNN3C(=NN=N3)C)C=CC2=O)C4=CC(=CNN5C(=NN=N5)C)C=CC4=O

DOS

IR

Vibrations