Geometry & MOs

Info

ID:

167542

PubChem CID:

74844856

Reduced:

SN2O5C17H21 (1)

Stoich.:

AB2C5D17E21 (1)

Weight, g/mol:

394.114676

ΔHf, kcal/mol:

-108.08

Dipole, Da:

8.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891627

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-[4-(4-ethylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]azanium

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

DOS

IR

Vibrations