Geometry & MOs

Info

ID:	49825
PubChem CID:	11533922
Reduced:	SN5O5C27H31 (1)
Stoich.:	AB5C5D27E31 (1)
Weight, g/mol:	537.150447
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	6.88
IP(EA), eV:	-8.8(-1.29)
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-(pyridin-4-ylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=NC=NC3=C2C(=C(N3)C4=CC=C(C=C4)S(=O)(=O)N(CCO)CCO)C5=CC=CC=C5

DOS

IR

Vibrations