Geometry & MOs

Info

ID:

222983

PubChem CID:

85333642

Reduced:

S2N6O6C41H42 (1)

Stoich.:

A2B6C6D41E42 (1)

Weight, g/mol:

779.435695

ΔHf, kcal/mol:

-86.72

Dipole, Da:

4.41

IP(EA), eV:

 -8.73(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-2-propyl-9-(3-quinolin-6-ylprop-2-enoxy)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)SCC2=NC(=C(C=C2)OCCC3=CC=CC=C3)C=CC(=O)NCCCNC(=O)C4=CN=C(C=C4)NN=CC5=CC=CC=C5S(=O)(=O)O

DOS

IR

Vibrations