Geometry & MOs

Info

ID:

215363

PubChem CID:

85084613

Reduced:

O7H21C24 (2)

Stoich.:

A7B21C24 (2)

Weight, g/mol:

842.540495

ΔHf, kcal/mol:

-451.82

Dipole, Da:

4.21

IP(EA), eV:

 -8.79(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-10-(4-phenylbutyl)-12-piperidin-3-yloxyimino-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)OC9C(C(C(C(O9)CO)O)O)O)O)O

DOS

IR

Vibrations