Geometry & MOs

Info

ID:

43373

PubChem CID:

10321190

Reduced:

FON5C26H26 (1)

Stoich.:

ABC5D26E26 (1)

Weight, g/mol:

443.141596

ΔHf, kcal/mol:

29.03

Dipole, Da:

3.67

IP(EA), eV:

 -9.09(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R)-3-methyl-15-[3-(2-oxo-3,4-dihydroquinolin-1-yl)prop-1-ynyl]-16-thia-2,4,5,11-tetrazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(13),3,5,14-tetraen-12-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations