Geometry & MOs

Info

ID:	49641
PubChem CID:	11533433
Reduced:	OSN5H23C30 (1)
Stoich.:	ABC5D23E30 (1)
Weight, g/mol:	501.139213
ΔH_f, kcal/mol:	132.94
Dipole, Da:	3.12
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(2-oxopropylsulfonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C3C=CNC(=O)C3=C2)C4=CC=C(C=C4)CNCC5=CC=C(C=C5)C6=CSN=N6

DOS

IR

Vibrations