Geometry & MOs

Info

ID:	187598
PubChem CID:	77595686
Reduced:	SO2N4C27H40 (1)
Stoich.:	AB2C4D27E40 (1)
Weight, g/mol:	371.188529
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	6.2
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4aH-quinolin-2-ylidene)ethylidene]-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-one

Drug info:

PubChemData

Smile

CC1=C2C(CCC(=O)N2C)(C3CCC4(C(C3C1)CCC4C(=O)NC5=NN=C(S5)C(C)(C)C)C)C

DOS

IR

Vibrations