Geometry & MOs

Info

ID:

314226

PubChem CID:

126620956

Reduced:

NSC11H23 (1)

Stoich.:

ABC11D23 (1)

Weight, g/mol:

871.508191

ΔHf, kcal/mol:

-16.06

Dipole, Da:

1.33

IP(EA), eV:

-8.3(0.99)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1'R,2R,3S,4'S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Drug info:

PubChemData

Smile

CC1(CCSCCC(N1C)(C)C)C

DOS

IR

Vibrations