Geometry & MOs

Info

ID:	67820
PubChem CID:	46507241
Reduced:	SO2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	355.062677
ΔH_f, kcal/mol:	-14.41
Dipole, Da:	4.92
IP(EA), eV:	-8.98(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=C(S3)N=CC=C4)NC2=O

DOS

IR

Vibrations