Geometry & MOs

Info

ID:	125097
PubChem CID:	50909713
Reduced:	ZnO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	560.167295
ΔH_f, kcal/mol:	54.68
Dipole, Da:	11.07
IP(EA), eV:	-5.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-2-ium-7-yl)propan-2-ol;phenylmercury

Drug info:

PubChemData

Smile

CC(=O)[OH2+].C1=CC=C(C=C1)C(=N[N-]C2=CC=CC=N2)C3=CC=CC=N3.[Zn]

DOS

IR

Vibrations