Geometry & MOs

Info

ID:	231199
PubChem CID:	87572940
Reduced:	O2N3S3H15C20 (1)
Stoich.:	A2B3C3D15E20 (1)
Weight, g/mol:	686.234751
ΔH_f, kcal/mol:	72.62
Dipole, Da:	8.92
IP(EA), eV:	-8.91(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]sulfanium;2-(trifluoromethyl)benzenesulfonate

Drug info:

PubChemData

Smile

C1C=C(C=C(C1=S)C2=CC=C(S2)C(=O)O)CC=NNC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations