Geometry & MOs

Info

ID:	69155
PubChem CID:	46525618
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	21.64
Dipole, Da:	2.21
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)CCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations