Geometry & MOs

Info

ID:

404422

PubChem CID:

135066277

Reduced:

NSO7C28H31 (1)

Stoich.:

ABC7D28E31 (1)

Weight, g/mol:

569.08493

ΔHf, kcal/mol:

-229.92

Dipole, Da:

7.77

IP(EA), eV:

 -9.32(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R)-6-bromo-1-[(S)-(4-fluorophenyl)-(phenylmethoxycarbonylamino)methyl]-3-oxo-2-benzofuran-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C(=O)C3=CC=C(C=C3)OC)OC(=O)OC(C)(C)C

DOS

IR

Vibrations