Geometry & MOs

Info

ID:

311958

PubChem CID:

126599440

Reduced:

PSCl2N4O9C20H29 (1)

Stoich.:

ABC2D4E9F20G29 (1)

Weight, g/mol:

652.312166

ΔHf, kcal/mol:

-395.19

Dipole, Da:

6.65

IP(EA), eV:

 -9.85(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S)-2-[N'-[(1E,5E)-6-[[amino-[(2S)-1-[(2R)-2-formamido-2-phenylacetyl]pyrrolidin-2-yl]methylidene]amino]hexa-1,5-dien-3-ynyl]carbamimidoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCOP(=O)(C(OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4Cl)Cl)OC(O2)(C)C)S(=O)(=O)CC)OCC

DOS

IR

Vibrations