Geometry & MOs

Info

ID:	67380
PubChem CID:	46506378
Reduced:	O2S2N3C17H25 (1)
Stoich.:	A2B2C3D17E25 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	2.91
IP(EA), eV:	-8.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-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

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3CCCCC3

DOS

IR

Vibrations