Geometry & MOs

Info

ID:

405436

PubChem CID:

135073931

Reduced:

SSi2O8C49H72 (1)

Stoich.:

AB2C8D49E72 (1)

Weight, g/mol:

356.209993

ΔHf, kcal/mol:

-432.79

Dipole, Da:

5.18

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[2-(5-ethyl-1H-pyrrol-2-yl)ethyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C(CC[C@H]2COC(O2)(C)C)C(=O)CCC(=O)[C@@H](C)C[C@H]3[C@H](C[C@@H](O3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations