Geometry & MOs

Info

ID:	435669
PubChem CID:	135192119
Reduced:	FN3O5C32H38 (1)
Stoich.:	AB3C5D32E38 (1)
Weight, g/mol:	392.137005
ΔH_f, kcal/mol:	-187.66
Dipole, Da:	4.72
IP(EA), eV:	-8.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfinamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OCC(C)OC(=C)CN)OC

DOS

IR

Vibrations