Geometry & MOs

Info

ID:	90058
PubChem CID:	49966068
Reduced:	F2O3N4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	355.060232
ΔH_f, kcal/mol:	-114.78
Dipole, Da:	4.76
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-9-(trifluoromethyl)-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene-13,15-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC=C3F)F

DOS

IR

Vibrations