Geometry & MOs

Info

ID:

396065

PubChem CID:

135027343

Reduced:

O2N3C28H28 (2)

Stoich.:

A2B3C28D28 (2)

Weight, g/mol:

469.221286

ΔHf, kcal/mol:

58.38

Dipole, Da:

3.71

IP(EA), eV:

 -8.68(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-5-methoxy-2-oxo-3-phenyl-1H-indol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)OC5=NC(=NC(=C5C6=CC=CC=C6)O[C@H](C7C[C@H]8CCN7CC8C=C)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1

DOS

IR

Vibrations