Geometry & MOs

Info

ID:	425255
PubChem CID:	135125664
Reduced:	BrSF2O3N6C24H25 (1)
Stoich.:	ABC2D3E6F24G25 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	6.39
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCCN4C=C(C=N4)Br)F)F)N)C

DOS

IR

Vibrations