Geometry & MOs

Info

ID:	1815
PubChem CID:	5113
Reduced:	BrNPO13C22H23 (1)
Stoich.:	ABCD13E22F23 (1)
Weight, g/mol:	619.00904
ΔH_f, kcal/mol:	-498.01
Dipole, Da:	3.22
IP(EA), eV:	-9.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[bis(acetyloxymethoxy)phosphoryl-[5-(4-bromophenoxy)-2-nitrophenyl]methoxy]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC(C1=C(C=CC(=C1)OC2=CC=C(C=C2)Br)[N+](=O)[O-])P(=O)(OCOC(=O)C)OCOC(=O)C

DOS

IR

Vibrations