Geometry & MOs

Info

ID:	425189
PubChem CID:	135125466
Reduced:	SO2F3N9H22C26 (1)
Stoich.:	AB2C3D9E22F26 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	3.71
Dipole, Da:	3.53
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C=C3)F)[C@]45CN(C[C@H]4CSC(=N5)N)C6=NC=C(C=N6)F)/F

DOS

IR

Vibrations