Geometry & MOs

Info

ID:	44778
PubChem CID:	10505918
Reduced:	BrN3O5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	511.0599
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	7.25
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[7-bromo-1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)Br

DOS

IR

Vibrations