Geometry & MOs

Info

ID:	52502
PubChem CID:	12015385
Reduced:	ClSO3N5H16C19 (1)
Stoich.:	ABC3D5E16F19 (1)
Weight, g/mol:	429.066238
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	3.13
IP(EA), eV:	-8.79(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 12-(2-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=C(C=C5)Cl

DOS

IR

Vibrations