Geometry & MOs

Info

ID:

59348

PubChem CID:

24824012

Reduced:

O3C8H16 (1)

Stoich.:

A3B8C16 (1)

Weight, g/mol:

1396.487054

ΔHf, kcal/mol:

-134.29

Dipole, Da:

3.59

IP(EA), eV:

-9.83(1.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-3-benzamido-2-[4-[[4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]phenyl]methylamino]-4-oxobutanoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4,12-bis(2-oxoethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CO[C@@H](CC=C)C[C@@H](CO)O

DOS

IR

Vibrations