Geometry & MOs

Info

ID:	216970
PubChem CID:	85087053
Reduced:	ClN2O7C11H15 (1)
Stoich.:	AB2C7D11E15 (1)
Weight, g/mol:	320.058908
ΔH_f, kcal/mol:	-311.9
Dipole, Da:	5.06
IP(EA), eV:	-10.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethyl-1,3-dithian-2-yl)-dimethyl-phenylphosphanium;chloride

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)CCl)O)O

DOS

IR

Vibrations