Geometry & MOs

Info

ID:	82367
PubChem CID:	49855947
Reduced:	SN4O4C34H36 (1)
Stoich.:	AB4C4D34E36 (1)
Weight, g/mol:	539.216869
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	8.33
IP(EA), eV:	-8.66(-1.04)
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)dibenzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations