Geometry & MOs

Info

ID:	89853
PubChem CID:	49965041
Reduced:	OSN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	431.085224
ΔH_f, kcal/mol:	55.75
Dipole, Da:	4.35
IP(EA), eV:	-9.17(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-4-anilino-10-(2-fluorophenyl)-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

CC(=O)CSC1=C(C=CC(=N1)C2=CC=NC=C2)C#N

DOS

IR

Vibrations