Geometry & MOs

Info

ID:	49975
PubChem CID:	11538567
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	399.0599
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	7.05
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[4-(naphthalen-2-ylsulfamoyl)phenyl]-2-oxoethyl] ethanethioate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC2=C1C=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations