Geometry & MOs

Info

ID:

307030

PubChem CID:

125264701

Reduced:

NSO2C7H10 (2)

Stoich.:

ABC2D7E10 (2)

Weight, g/mol:

536.334918

ΔHf, kcal/mol:

-142.51

Dipole, Da:

3.06

IP(EA), eV:

 -9.35(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4Z,6R,7S,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-[(2R,3S)-3-[(2S,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H]1CN([C@@H]2[C@@H]1OCCC2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations