Geometry & MOs

Info

ID:	50011
PubChem CID:	11538753
Reduced:	OF3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	408.035083
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	4.72
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4,13-dithia-3,5,10,15-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,5,7,10-pentaen-14-yl)-7-hydroxy-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)N

DOS

IR

Vibrations