Geometry & MOs

Info

ID:	334853
PubChem CID:	127253659
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	454.164105
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	4.58
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-(7-methoxy-2-oxo-1H-quinolin-3-yl)-11-methyl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

C1CC2C3CC(CN(C3)C(=O)CC4=CSC(=N4)C5=CC=CC=N5)CN2C(=O)C1

DOS

IR

Vibrations