Geometry & MOs

Info

ID:	359766
PubChem CID:	127299713
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	5.51
IP(EA), eV:	-9.05(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-oxo-1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2CCS(=O)(=O)C2)C(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations