Geometry & MOs

Info

ID:	123379
PubChem CID:	50844710
Reduced:	FSO2N5H20C21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	383.116444
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	6.94
IP(EA), eV:	-8.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC3=C(C(=O)N2CCC(=O)NC4=CC(=C(C=C4)F)C#N)SC=C3

DOS

IR

Vibrations