Geometry & MOs

Info

ID:	192931
PubChem CID:	78326202
Reduced:	N4O5C24H32 (1)
Stoich.:	A4B5C24D32 (1)
Weight, g/mol:	403.172976
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	7.9
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-5-(3-fluorophenyl)-8,8-dimethyl-2,3,4a,5,5a,7,10,10a-octahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Drug info:

PubChemData

Smile

CCN1C2CCCCC2C(=O)N(C1=O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations