Geometry & MOs

Info

ID:	52499
PubChem CID:	12015381
Reduced:	SO3N6C12H16 (1)
Stoich.:	AB3C6D12E16 (1)
Weight, g/mol:	390.111024
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	2.73
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 12-[(E)-ethoxymethylideneamino]-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)N(C(=N3)NN)N

DOS

IR

Vibrations