Geometry & MOs

Info

ID:

59442

PubChem CID:

24870052

Reduced:

ClS3N5H8C14 (1)

Stoich.:

AB3C5D8E14 (1)

Weight, g/mol:

723.468338

ΔHf, kcal/mol:

182.14

Dipole, Da:

1.27

IP(EA), eV:

-9.19(-1.74)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(3S,5R)-5-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NSC(=N2)SC3N=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations