Geometry & MOs

Info

ID:	52501
PubChem CID:	12015384
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	429.066238
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.93
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 12-(4-chlorophenyl)-16-oxo-8-thia-5,10,12,14,15-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)N(C=N4)C5=CC=CC=C5

DOS

IR

Vibrations