Geometry & MOs

Info

ID:

170302

PubChem CID:

75215269

Reduced:

NO7C30H41 (1)

Stoich.:

AB7C30D41 (1)

Weight, g/mol:

848.310279

ΔHf, kcal/mol:

-277.45

Dipole, Da:

7.56

IP(EA), eV:

 -8.62(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-acetyloxy-2-[1,9,10,17-tetraacetyloxy-8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-11,16-dihydroxy-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.12,5.03,7.03,11.012,16]octadecan-13-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)O.C1=CC=C2C(=C1)C=CC=C2COCCOCCCCCCNCC(C3=CC(=C(C=C3)O)CO)O

DOS

IR

Vibrations