Geometry & MOs

Info

ID:	219622
PubChem CID:	85154878
Reduced:	F2O3N4C28H36 (1)
Stoich.:	A2B3C4D28E36 (1)
Weight, g/mol:	514.245273
ΔH_f, kcal/mol:	-191.78
Dipole, Da:	4.55
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[nonyl(sulfanyl)phosphinothioyl]oxypentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)N(C)C3CCN(C3)C(=O)N4CCC(C4)NCCCOC)F)F

DOS

IR

Vibrations