Geometry & MOs

Info

ID:

215115

PubChem CID:

85084179

Reduced:

O6C19H29 (2)

Stoich.:

A6B19C29 (2)

Weight, g/mol:

706.513217

ΔHf, kcal/mol:

-550.56

Dipole, Da:

2.43

IP(EA), eV:

 -9.34(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[8-(6-hydroxy-3,5-dimethylhept-4-enyl)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[3-methyl-6-(2-oxopentyl)oxan-2-yl]acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC1=CC(OC1=O)CC(C(C)C2CCC3C4(CCC(C(C4CCC3(C25CC(=O)OC5)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)OC(=O)C

DOS

IR

Vibrations