Geometry & MOs

Info

ID:	69073
PubChem CID:	46517762
Reduced:	FNOSH14C20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	478.134462
ΔH_f, kcal/mol:	30.87
Dipole, Da:	1.78
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

DOS

IR

Vibrations