Geometry & MOs

Info

ID:

219890

PubChem CID:

85165013

Reduced:

ClPSiN4O5C29H34 (1)

Stoich.:

ABCD4E5F29G34 (1)

Weight, g/mol:

612.207229

ΔHf, kcal/mol:

-170.51

Dipole, Da:

10.33

IP(EA), eV:

 -9.04(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(CC(O3)N4C=NC5C4=NC=NC5=O)OP(OCC=C)Cl

DOS

IR

Vibrations