Geometry & MOs

Info

ID:	185252
PubChem CID:	77276162
Reduced:	ClFN2O7C27H28 (1)
Stoich.:	ABC2D7E27F28 (1)
Weight, g/mol:	441.04882
ΔH_f, kcal/mol:	-304.91
Dipole, Da:	8.29
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-bromo-7'-(2-fluoropyridin-4-yl)spiro[morpholine-6,9'-xanthene]-2-amine

Drug info:

PubChemData

Smile

COCCC(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=C(C=C3)N4CCCC4=O)Cl)F)OC)C(=O)O

DOS

IR

Vibrations