Geometry & MOs

Info

ID:	53505
PubChem CID:	14716387
Reduced:	ClO2N3C33H34 (1)
Stoich.:	AB2C3D33E34 (1)
Weight, g/mol:	532.236208
ΔH_f, kcal/mol:	18.05
Dipole, Da:	2.51
IP(EA), eV:	-8.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-anilino-6'-[ethyl(oxolan-3-ylmethyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2(C3=CC(=C(C=C3N=C(O2)C4=CC=CC=C4)N(C)C)Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations