Geometry & MOs

Info

ID:	326919
PubChem CID:	126688676
Reduced:	ClO4N7C17H20 (1)
Stoich.:	AB4C7D17E20 (1)
Weight, g/mol:	244.055801
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	1.46
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-9H-thioxanthene 10,10-dioxide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4N5CCOC5=O)Cl

DOS

IR

Vibrations