Geometry & MOs

Info

ID:

442389

PubChem CID:

135251768

Reduced:

ON2H14C19 (1)

Stoich.:

AB2C14D19 (1)

Weight, g/mol:

819.476891

ΔHf, kcal/mol:

44.67

Dipole, Da:

3.07

IP(EA), eV:

 -8.4(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,11S,14R,15S)-11-hydroxy-5-[(4S)-4-hydroxy-5-[(4S)-4-hydroxy-6-methyl-5-[[2-methyl-4-(oxetan-3-yl)-1,4-oxazepan-7-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,15,16-trimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C=C1C2=CC=CC3=C2C(=CC=C3)C(=O)N1C4=CC=CC=C4N

DOS

IR

Vibrations