Geometry & MOs

Info

ID:	229910
PubChem CID:	87569493
Reduced:	PN2O5C11H27 (1)
Stoich.:	AB2C5D11E27 (1)
Weight, g/mol:	323.0286
ΔH_f, kcal/mol:	-323.89
Dipole, Da:	1.62
IP(EA), eV:	-8.46(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(5E)-5-(2-oxo-1-phenylpropylidene)thiophen-2-ylidene]amino] methanesulfonate

Drug info:

PubChemData

Smile

CCCOC(=O)NCCCN(C)C.CCP(=O)(O)O

DOS

IR

Vibrations