Geometry & MOs

Info

ID:

147065

PubChem CID:

53786632

Reduced:

BrClN2S3O6H26C32 (1)

Stoich.:

ABC2D3E6F26G32 (1)

Weight, g/mol:

383.142761

ΔHf, kcal/mol:

-130.89

Dipole, Da:

5.9

IP(EA), eV:

 -9.07(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,7R,8S,9R,10R)-2-amino-3,7,8,9,10-pentahydroxy-4,6-dioxo-3-[(1S,2R)-1,2,3-trihydroxypropyl]undecanal

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)OCC(=O)O)CSC4=NC5=C(S4)C=CC(=C5)Br

DOS

IR

Vibrations