Geometry & MOs

Info

ID:	3292
PubChem CID:	9454
Reduced:	PCl3O6C14H14 (1)
Stoich.:	AB3C6D14E14 (1)
Weight, g/mol:	413.959358
ΔH_f, kcal/mol:	-315.47
Dipole, Da:	3.92
IP(EA), eV:	-9.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl)Cl

DOS

IR

Vibrations