Geometry & MOs

Info

ID:

225145

PubChem CID:

85741993

Reduced:

ClSO2H9C12 (1)

Stoich.:

ABC2D9E12 (1)

Weight, g/mol:

851.454825

ΔHf, kcal/mol:

-49.44

Dipole, Da:

5.7

IP(EA), eV:

 -9.45(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CS2)CC(=O)O)Cl

DOS

IR

Vibrations