Geometry & MOs

Info

ID:	416548
PubChem CID:	135089654
Reduced:	FSN4O4C16H19 (1)
Stoich.:	ABC4D4E16F19 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-159.64
Dipole, Da:	3.25
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-methylquinolin-8-yl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

DOS

IR

Vibrations