Geometry & MOs

Info

ID:

324941

PubChem CID:

126678839

Reduced:

SO2F3N6H15C19 (1)

Stoich.:

AB2C3D6E15F19 (1)

Weight, g/mol:

421.222623

ΔHf, kcal/mol:

-90.19

Dipole, Da:

4.84

IP(EA), eV:

 -8.8(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-[4-(4-methylpiperazin-1-yl)phenyl]-8-oxa-2,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-4-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CSC1=NC=C(C=C1)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)OC(F)(F)F

DOS

IR

Vibrations