Geometry & MOs

Info

ID:

414738

PubChem CID:

135087699

Reduced:

ClFON2C17H24 (1)

Stoich.:

ABCD2E17F24 (1)

Weight, g/mol:

580.337319

ΔHf, kcal/mol:

-88.63

Dipole, Da:

2.54

IP(EA), eV:

 -8.79(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(C(=CC=C3)Cl)F)CO

DOS

IR

Vibrations