Geometry & MOs

Info

ID:	189252
PubChem CID:	77833896
Reduced:	Cl2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	455.254397
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	4.24
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[amino-(5-fluoro-2,4-dioxo-1,3-diazinane-1-carbonyl)amino]cyclohexyl]-2-oxoethyl]-2-propylpentanamide

Drug info:

PubChemData

Smile

CC(=O)NN1C(CC(C2=C1C=C(C=C2Cl)Cl)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations