Geometry & MOs

Info

ID:

180591

PubChem CID:

76658666

Reduced:

ClO16C62H69 (1)

Stoich.:

AB16C62D69 (1)

Weight, g/mol:

884.50344

ΔHf, kcal/mol:

-604.09

Dipole, Da:

5.16

IP(EA), eV:

 -8.99(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(1,6-dimethyl-2-naphthalen-1-ylimino-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-4-yl)oxy]-15-ethyl-13,14-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,9,12,14-pentamethyl-oxacyclopentadecane-2,10-dione

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC3=C4C(=C(C5=C3C=CC(O5)(C)CCC=C(C)C)CC=C(C)C)OC67C8CC(C=C6C4=O)C(=O)C7(OC8(C)C)CC=C(C)C(=O)OCC9=CC=CC=C9Cl

DOS

IR

Vibrations