Geometry & MOs

Info

ID:	192820
PubChem CID:	78315767
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	475.177707
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	8.3
IP(EA), eV:	-8.62(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-methylpiperidine-1-carbonyl)-3H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4C=C5C(=CC4=NC3=S)OCO5

DOS

IR

Vibrations