Geometry & MOs

Info

ID:	188460
PubChem CID:	77720358
Reduced:	ClF2N3O4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	-218.55
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-dioxo-1,3-dipropyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(2-hydroxy-2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CC2=CC=C(C=C2)CNC(=O)C(CO)N)Cl)OCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations