Geometry & MOs

Info

ID:	67807
PubChem CID:	46507202
Reduced:	SN2O4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	353.065654
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	9.5
IP(EA), eV:	-9.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethylphenyl)methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C(C2=O)S(=O)(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations