Geometry & MOs

Info

ID:

215161

PubChem CID:

85084288

Reduced:

NPO3C21H21 (2)

Stoich.:

ABC3D21E21 (2)

Weight, g/mol:

731.30642

ΔHf, kcal/mol:

-207.39

Dipole, Da:

3.58

IP(EA), eV:

 -8.7(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NCCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)NCCP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

DOS

IR

Vibrations