Geometry & MOs

Info

ID:	184096
PubChem CID:	77108361
Reduced:	O2F3N5C33H34 (1)
Stoich.:	A2B3C5D33E34 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	7.96
IP(EA), eV:	-8.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCCCC2)NC(=O)C3=CC=C(C=C3)NC4=NC=C(C(=N4)C5=CC(=C(C=C5)OC(F)(F)F)C)C

DOS

IR

Vibrations