Geometry & MOs

Info

ID:	357233
PubChem CID:	127293737
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	3.12
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)C(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations