Geometry & MOs

Info

ID:

47074

PubChem CID:

10529403

Reduced:

BSiO3C30H53 (1)

Stoich.:

ABC3D30E53 (1)

Weight, g/mol:

501.2475

ΔHf, kcal/mol:

-237.07

Dipole, Da:

2.4

IP(EA), eV:

 -9.17(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[2-acetamido-6-[(2S)-3-hydroxy-2-(methoxycarbonylamino)propyl]-3-phenylmethoxyanilino]-3-methylbutanoate

Drug info:

PubChemData

Smile

B(C=C=C([C@@H](C(C)C)O)[Si](C)(C)C)(O[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)O[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations