Geometry & MOs

Info

ID:	50019
PubChem CID:	11538778
Reduced:	NSiO3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	409.077552
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	1.33
IP(EA), eV:	-9.03(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-chloro-2-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(3-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H](C=C)N3C(CCC3=O)O

DOS

IR

Vibrations