Geometry & MOs

Info

ID:	30033
PubChem CID:	839011
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	5.19
IP(EA), eV:	-8.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C3CC[C@@H](CC3=C2)C)N

DOS

IR

Vibrations