Geometry & MOs

Info

ID:	52500
PubChem CID:	12015382
Reduced:	SO4N6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-56.4
Dipole, Da:	4.85
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 16-oxo-12-phenyl-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

CCO/C=N/N1C=NN2C1=NC3=C(C2=O)C4=C(S3)CN(CC4)C(=O)OCC

DOS

IR

Vibrations