Geometry & MOs

Info

ID:	81927
PubChem CID:	49855361
Reduced:	SO4N5C33H35 (1)
Stoich.:	AB4C5D33E35 (1)
Weight, g/mol:	569.209676
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	8.87
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations