Geometry & MOs

Info

ID:

308428

PubChem CID:

125327834

Reduced:

S2O3N4C16H16 (1)

Stoich.:

A2B3C4D16E16 (1)

Weight, g/mol:

650.079565

ΔHf, kcal/mol:

-35.18

Dipole, Da:

3.63

IP(EA), eV:

 -9.32(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4E)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1C(=N[C@H](S1)NC(=O)[C@@H]2C=CC=NC2=O)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations