Geometry & MOs

Info

ID:	52504
PubChem CID:	12015388
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	412.066383
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	5.93
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 16-oxo-13-phenyl-8,12-dithia-5,10,14,15-tetrazatetracyclo[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=C(C=C5)C

DOS

IR

Vibrations