Geometry & MOs

Info

ID:

222652

PubChem CID:

85307670

Reduced:

N8O9C52H82 (1)

Stoich.:

A8B9C52D82 (1)

Weight, g/mol:

962.629444

ΔHf, kcal/mol:

-374.52

Dipole, Da:

6.2

IP(EA), eV:

 -9.08(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyimino-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Drug info:

PubChemData

Smile

CCCCCCC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N1)CCC#N)C)C)CC(C)CCCC)CC2=CN(C3=CC=CC=C32)OC)C)CC(C)C)CC(C)C)C

DOS

IR

Vibrations