Geometry & MOs

Info

ID:

409986

PubChem CID:

135082773

Reduced:

ClOSH10C15 (1)

Stoich.:

ABCD10E15 (1)

Weight, g/mol:

388.039893

ΔHf, kcal/mol:

34.08

Dipole, Da:

3.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.149514

Charge, e:

 0

Chem-info

IUPAC name:

hydrogen sulfate;1-[5-(4-nitrophenyl)-1,3-oxathiol-2-ylidene]piperidin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=[O+]2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations