Geometry & MOs

Info

ID:

170400

PubChem CID:

75227910

Reduced:

N9O11C40H61 (1)

Stoich.:

A9B11C40D61 (1)

Weight, g/mol:

1017.588567

ΔHf, kcal/mol:

-511.01

Dipole, Da:

5.79

IP(EA), eV:

 -9.7(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] 3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CNC(=O)C)NC(=O)C=CC(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations