Geometry & MOs

Info

ID:	193462
PubChem CID:	78397915
Reduced:	O2N5H17C22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	367.136591
ΔH_f, kcal/mol:	158.79
Dipole, Da:	2.97
IP(EA), eV:	-8.67(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(4-fluorophenyl)-2-methylsulfanyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NNC2=C3N=C4C=CC=CC4=N3)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations