Geometry & MOs

Info

ID:	83345
PubChem CID:	49857474
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	555.194026
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	9.27
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)C3=C(N2)C(=CC=C3)C4=C5C(=C(C=C4)N)C6=CC=CC=C6O5

DOS

IR

Vibrations