Geometry & MOs

Info

ID:

83440

PubChem CID:

49857593

Reduced:

OF4N6H26C29 (1)

Stoich.:

AB4C6D26E29 (1)

Weight, g/mol:

433.132094

ΔHf, kcal/mol:

-52.09

Dipole, Da:

6.39

IP(EA), eV:

 -9.19(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC(=C(C=C2)F)F)(C3=NC=C(C=C3)CN4CC5(C4)CN(C5)C6=CN=CC(=C6)C#N)NC(=O)C(F)F

DOS

IR

Vibrations