Geometry & MOs

Info

ID:	187873
PubChem CID:	77637570
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	560.207113
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	3.27
IP(EA), eV:	-8.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzoyl-5-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1,3-diazinan-2-yl]pyrrolidin-3-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=C3CNC(=O)C4C(C(=O)NC(N4)C5=CC=CS5)O

DOS

IR

Vibrations