Geometry & MOs

Info

ID:

191887

PubChem CID:

78197803

Reduced:

N3O6C7H11 (1)

Stoich.:

A3B6C7D11 (1)

Weight, g/mol:

946.561349

ΔHf, kcal/mol:

-175.33

Dipole, Da:

3.91

IP(EA), eV:

-10.89(-1.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-acetyloxy-6-[[12-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2,4-dimethyloxan-3-yl] propanoate

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1COCCO)[N+](=O)[O-]

DOS

IR

Vibrations