Geometry & MOs

Info

ID:

44755

PubChem CID:

10505750

Reduced:

P2S2F6O7C11H22 (1)

Stoich.:

A2B2C6D7E11F22 (1)

Weight, g/mol:

506.158368

ΔHf, kcal/mol:

-701.39

Dipole, Da:

10.75

IP(EA), eV:

 -10.61(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C[PH+]1CCCC[P+](CCC1)(C)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations