Geometry & MOs

Info

ID:	225291
PubChem CID:	85753334
Reduced:	Cl2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	329.048681
ΔH_f, kcal/mol:	28.25
Dipole, Da:	3.54
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethoxyphosphorylmethyl)-1,3-benzothiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(CCCCCCCN=C(N)N)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations