Geometry & MOs

Info

ID:

380750

PubChem CID:

134971284

Reduced:

NCl3O6C25H34 (1)

Stoich.:

AB3C6D25E34 (1)

Weight, g/mol:

430.177372

ΔHf, kcal/mol:

-274.57

Dipole, Da:

4.81

IP(EA), eV:

 -9.27(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-5-(imidazole-1-carbothioyloxy)-4-methyl-3-propan-2-yloxypentanoate

Drug info:

PubChemData

Smile

CC1(OC[C@]([C@@H](O1)[C@@H](CCOC(=O)C(C)(C)C)OCC2=CC=CC=C2)(C=C)NC(=O)C(Cl)(Cl)Cl)C

DOS

IR

Vibrations