Geometry & MOs

Info

ID:	184688
PubChem CID:	77192924
Reduced:	Cl2F2N3O4H19C21 (1)
Stoich.:	A2B2C3D4E19F21 (1)
Weight, g/mol:	361.095134
ΔH_f, kcal/mol:	-201.76
Dipole, Da:	5.54
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[[4-(1-fluoroethyl)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]oxy]ethyl]imidazo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2C(N(N=C2C(F)F)C)OC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations