Geometry & MOs

Info

ID:

215046

PubChem CID:

85084051

Reduced:

Cl2N3S3O4C31H33 (1)

Stoich.:

A2B3C3D4E31F33 (1)

Weight, g/mol:

678.434298

ΔHf, kcal/mol:

-34.63

Dipole, Da:

7.63

IP(EA), eV:

 -8.62(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[4-(2,4-dihydroxy-5-methyl-6-prop-1-enyloxan-2-yl)-3-hydroxypentan-2-yl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-7,11,13-trimethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one

Drug info:

PubChemData

Smile

CN(CC(CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)CC5=CC=C(S5)C6=NOC=C6

DOS

IR

Vibrations