Geometry & MOs

Info

ID:	12221
PubChem CID:	132799
Reduced:	PCl2N2O5H9C14 (1)
Stoich.:	AB2C2D5E9F14 (1)
Weight, g/mol:	385.962614
ΔH_f, kcal/mol:	-218.71
Dipole, Da:	7.49
IP(EA), eV:	-9.2(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=O)N=C(N2)C3=C(C=CC(=C3)Cl)OP(=O)(O)O

DOS

IR

Vibrations