Geometry & MOs

Info

ID:

49905

PubChem CID:

11534241

Reduced:

N4O8C29H34 (1)

Stoich.:

A4B8C29D34 (1)

Weight, g/mol:

566.263502

ΔHf, kcal/mol:

-245.36

Dipole, Da:

6.73

IP(EA), eV:

 -9.29(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-aminohexanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2C(=O)N1N)OCCOC(=O)C(=C)CCC[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations