Geometry & MOs

Info

ID:

324861

PubChem CID:

126678496

Reduced:

F2O10N13C55H67 (1)

Stoich.:

A2B10C13D55E67 (1)

Weight, g/mol:

371.159354

ΔHf, kcal/mol:

-397.44

Dipole, Da:

6.23

IP(EA), eV:

 -9.35(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hydroxy-3-oxo-4-[(2-phenyltriazolidin-4-yl)methyl]-4a,8a-dihydro-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](C2=CC=C(C=C2)C3C[C@H](N(C3)C(=O)[C@@H](C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC6=CC=CC=C6)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF

DOS

IR

Vibrations