Geometry & MOs

Info

ID:

438956

PubChem CID:

135228717

Reduced:

FON3C16H22 (1)

Stoich.:

ABC3D16E22 (1)

Weight, g/mol:

565.315186

ΔHf, kcal/mol:

-24.29

Dipole, Da:

4.57

IP(EA), eV:

-8.39(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl (15R)-9-tert-butyl-5-[(Z,1Z)-1-[[(1-ethoxy-1-oxopropan-2-yl)amino]methylimino]but-2-en-2-yl]-4-methoxy-14-oxa-10-azatetracyclo[8.6.0.02,7.013,15]hexadeca-1(16),2,4,6,11-pentaene-12-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC1[C@H](CC2C3=CC=CC=C3/C(=C/N)/N2F)O

DOS

IR

Vibrations