Geometry & MOs

Info

ID:	121261
PubChem CID:	50760960
Reduced:	SO2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	408.030409
ΔH_f, kcal/mol:	44.38
Dipole, Da:	5.62
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N(N=C3SC)CC(=O)NC(C)CCC4=CC=CC=C4)N

DOS

IR

Vibrations