Geometry & MOs

Info

ID:	49347
PubChem CID:	11532889
Reduced:	ClO2N5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	469.03473
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	2.33
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)C(=O)NCC4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations