Geometry & MOs

Info

ID:	338978
PubChem CID:	127259989
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	430.067368
ΔH_f, kcal/mol:	-164.5
Dipole, Da:	9.89
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCNC(=O)CCOS(=O)(=O)C1=CC=C(C=C1)N

DOS

IR

Vibrations