Geometry & MOs

Info

ID:

438444

PubChem CID:

135228185

Reduced:

FO2N3C14H16 (1)

Stoich.:

AB2C3D14E16 (1)

Weight, g/mol:

494.16333

ΔHf, kcal/mol:

-43.95

Dipole, Da:

6.52

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-[15-chloro-9-(ethoxymethyl)-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)-5-fluorohepta-1,3,5-trien-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CN(C)/C=C(\C=C/C=O)/C(=O)NNC1=CC=C(C=C1)F

DOS

IR

Vibrations