Geometry & MOs

Info

ID:

442555

PubChem CID:

135252954

Reduced:

O2N5C24H25 (1)

Stoich.:

A2B5C24D25 (1)

Weight, g/mol:

949.664298

ΔHf, kcal/mol:

2.13

Dipole, Da:

2.31

IP(EA), eV:

 -8.83(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12S,15S,16E,18R,21R,23S,24E,26E,28E,30R,32S,35R)-19,30-dimethoxy-12-[1-[(1S,3R)-3-methoxy-4-propoxycyclohexyl]propan-2-yl]-1,15,17,18,21,23,29,35-octamethyl-20-methylidene-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14-tetrone

Drug info:

PubChemData

Smile

CCC(CC)N1C(=O)CC2=CN=C(N=C21)NC3=CC=CC(=C3)CC(=O)C4=CC=NC=C4

DOS

IR

Vibrations