Geometry & MOs

Info

ID:

8954

PubChem CID:

84017

Reduced:

N3O14C43H81 (1)

Stoich.:

A3B14C43D81 (1)

Weight, g/mol:

863.571854

ΔHf, kcal/mol:

-624.27

Dipole, Da:

7.16

IP(EA), eV:

 -8.48(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=NOC)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)OCOCCN(C)C)(C)O

DOS

IR

Vibrations