Geometry & MOs

Info

ID:

47286

PubChem CID:

10531175

Reduced:

BO6N7C28H32 (1)

Stoich.:

AB6C7D28E32 (1)

Weight, g/mol:

574.162116

ΔHf, kcal/mol:

-249.75

Dipole, Da:

7.67

IP(EA), eV:

 -8.42(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

B(C1=CC(=CC=C1)NC(=O)CC[C@@H](C(=O)OC)NC(=O)C2=CC=C(C=C2)CCCC3=CNC4=NC(=NC(=C34)N)N)(O)O

DOS

IR

Vibrations