Geometry & MOs

Info

ID:	52498
PubChem CID:	12015380
Reduced:	S2O3N4C13H16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	324.10046
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	2.73
IP(EA), eV:	-8.8(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-hydrazinyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)N

DOS

IR

Vibrations