Geometry & MOs

Info

ID:

221813

PubChem CID:

85286169

Reduced:

SO13C29H38 (1)

Stoich.:

AB13C29D38 (1)

Weight, g/mol:

626.246201

ΔHf, kcal/mol:

-573.07

Dipole, Da:

2.07

IP(EA), eV:

 -9.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-[benzylsulfonyl(propyl)amino]ethyl]-2-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)C)OC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations