Geometry & MOs

Info

ID:

438435

PubChem CID:

135228176

Reduced:

O2N6H22C23 (1)

Stoich.:

A2B6C22D23 (1)

Weight, g/mol:

530.144486

ΔHf, kcal/mol:

85.62

Dipole, Da:

6.39

IP(EA), eV:

 -8.92(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CC=CC=C1)[C@@H]2COC(=N2)C3=C4CC5=CN=NN5C6=C(N4C=N3)C=CC(=C6)OC

DOS

IR

Vibrations