Geometry & MOs

Info

ID:	147910
PubChem CID:	53787570
Reduced:	NOSC19H21 (1)
Stoich.:	ABCD19E21 (1)
Weight, g/mol:	431.868117
ΔH_f, kcal/mol:	10.43
Dipole, Da:	4.45
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3,4,4-tetrachloro-2-phosphonooxybutoxy)ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CN(CSC1)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations