Geometry & MOs

Info

ID:	89939
PubChem CID:	49965460
Reduced:	OF2N2H12C20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	428.98951
ΔH_f, kcal/mol:	-23.12
Dipole, Da:	4.97
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-10-(4-bromophenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=C(C=CC=C4F)F

DOS

IR

Vibrations