Geometry & MOs

Info

ID:

85062

PubChem CID:

49871566

Reduced:

SiN3O6C29H47 (1)

Stoich.:

AB3C6D29E47 (1)

Weight, g/mol:

461.2162

ΔHf, kcal/mol:

-338.18

Dipole, Da:

3.14

IP(EA), eV:

 -8.68(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S,10bR)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN([C@H]1C[C@@H]2C3=CC=CC=C3C[C@H](N2C1=O)CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations