Geometry & MOs

Info

ID:	90064
PubChem CID:	49966114
Reduced:	OSF3N3H16C22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	389.028183
ΔH_f, kcal/mol:	-101.34
Dipole, Da:	2.41
IP(EA), eV:	-8.69(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1,3-benzodioxol-5-yl)-13-(difluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4F)N)C(F)F

DOS

IR

Vibrations