Geometry & MOs

Info

ID:	185669
PubChem CID:	77328894
Reduced:	N2O3Cl4H10C12 (1)
Stoich.:	A2B3C4D10E12 (1)
Weight, g/mol:	638.169422
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	5.38
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-10-oxo-4-propoxy-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydrothioxanthen-9-one;1-chloro-4-propoxy-9H-thioxanthene 10-oxide

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1Cl)Cl)C3C(C(C(O3)CCl)O)O)N=C(N2)Cl

DOS

IR

Vibrations