Geometry & MOs

Info

ID:	232445
PubChem CID:	87576200
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	374.068023
ΔH_f, kcal/mol:	-103.99
Dipole, Da:	2.89
IP(EA), eV:	-8.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)sulfanium;sulfate

Drug info:

PubChemData

Smile

CCONCCCS(=O)(=O)N1CCC(CC1)C2=CNC3=C2C=C(C=C3C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations