Geometry & MOs

Info

ID:

1812

PubChem CID:

5106

Reduced:

N2O15C41H76 (1)

Stoich.:

A2B15C41D76 (1)

Weight, g/mol:

836.52457

ΔHf, kcal/mol:

-702.47

Dipole, Da:

5.29

IP(EA), eV:

 -9.34(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O

DOS

IR

Vibrations