Geometry & MOs

Info

ID:	191085
PubChem CID:	78102717
Reduced:	ClF3N4O4H22C29 (1)
Stoich.:	AB3C4D4E22F29 (1)
Weight, g/mol:	432.156257
ΔH_f, kcal/mol:	-238.8
Dipole, Da:	5.39
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxy-[4-[1-[(4-oxo-2-pyridin-2-yl-1,3-diazinane-5-carbonyl)amino]ethyl]phenyl]phosphinic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=C(C=C(C=C4)C(F)(F)F)Cl

DOS

IR

Vibrations