Geometry & MOs

Info

ID:	25127
PubChem CID:	619238
Reduced:	ClNSO3H10C15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	-65.92
Dipole, Da:	2.31
IP(EA), eV:	-8.85(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-6-thia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-2,12-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)S3)Cl

DOS

IR

Vibrations