Geometry & MOs

Info

ID:

307175

PubChem CID:

125275619

Reduced:

NO2C20H23 (1)

Stoich.:

AB2C20D23 (1)

Weight, g/mol:

957.581356

ΔHf, kcal/mol:

-30.14

Dipole, Da:

1.78

IP(EA), eV:

 -9.42(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,8R,11S,14R,15E,17S,18S,20S,22R,23E,25Z,27E,29R,31R,34S)-1,17-dihydroxy-11-[(2R)-1-[(1S,3R,4S)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)[C@]2(C[C@@H]2CO)C3=CC=CC=C3

DOS

IR

Vibrations