Geometry & MOs

Info

ID:	172700
PubChem CID:	75542154
Reduced:	O3N5C16H18 (1)
Stoich.:	A3B5C16D18 (1)
Weight, g/mol:	343.018225
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782338
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)[N+](=C3N2C(=O)N=N3)C(C)C

DOS

IR

Vibrations