Geometry & MOs

Info

ID:	425110
PubChem CID:	135125184
Reduced:	BrFSN3O6C23H31 (1)
Stoich.:	ABCD3E6F23G31 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-275.77
Dipole, Da:	3.59
IP(EA), eV:	-9.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C2(CC2)S(=O)(=O)N(C(=N1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations