Geometry & MOs

Info

ID:	81928
PubChem CID:	49855363
Reduced:	SO4N5C31H31 (1)
Stoich.:	AB4C5D31E31 (1)
Weight, g/mol:	567.230411
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	5.02
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-1-yl]-3-piperidin-1-ylpropanamide

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations