Geometry & MOs

Info

ID:	178613
PubChem CID:	76356362
Reduced:	SO3N7C18H21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	420.136845
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	7.05
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=C(S2)N=CC=C3)C(=O)C4CC5C(NC4)NC(=O)NC5=O

DOS

IR

Vibrations